(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane

C96H183F27 — CID 165002174

IUPAC(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane
SMILESCC(C)C(C)(C(C)C)C(F)(F)F.CCC(C)(CC)[C@](C)(CC)C(F)(F)F.CCC(CC)[C@](C)(CC)C(F)(F)F.CCC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F.CCC[C@@](C)(C(CC)CC)C(F)(F)F.CCC[C@@](C)(CC(C)C)C(F)(F)F.CCC[C@](C)(C(F)(F)F)C(C)(CC)CC.CCC[C@](C)(CC)C(F)(F)F.CC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3.2C12H23F3.2C11H21F3.2C10H19F3.C9H17F3.C8H15F3/c1-7-8-12(6,13(14,15)16)11(9(2)3)10(4)5;1-7-11(6,12(13,14)15)10(8(2)3)9(4)5;1-6-9-11(5,12(13,14)15)10(4,7-2)8-3;1-6-9(4,7-2)10(5,8-3)11(12,13)14;1-5-8-10(4,11(12,13)14)9(6-2)7-3;1-5-6-9(4,7-8(2)3)10(11,12)13;1-5-8(6-2)9(4,7-3)10(11,12)13;1-6(2)8(5,7(3)4)9(10,11)12;1-4-6-7(3,5-2)8(9,10)11/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;6-7H,1-5H3;4-6H2,1-3H3/t12-;2*11-;2*10-;2*9-;;7-/m0000000.0/s1
InChIKeyIKMMMGJNFLLXKX-XDPQJDAYSA-N
MW1850.47 g/mol
LogP41.38
Rot. Bonds36

About (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane

(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane (PubChem CID 165002174) has the molecular formula C96H183F27 and a molecular weight of 1850.47 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane
PubChem CID165002174
Molecular FormulaC96H183F27
Molecular Weight1850.47 g/mol
Exact Mass1849.39
IUPAC Name(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane
SMILESCC(C)C(C)(C(C)C)C(F)(F)F.CCC(C)(CC)[C@](C)(CC)C(F)(F)F.CCC(CC)[C@](C)(CC)C(F)(F)F.CCC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F.CCC[C@@](C)(C(CC)CC)C(F)(F)F.CCC[C@@](C)(CC(C)C)C(F)(F)F.CCC[C@](C)(C(F)(F)F)C(C)(CC)CC.CCC[C@](C)(CC)C(F)(F)F.CC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3.2C12H23F3.2C11H21F3.2C10H19F3.C9H17F3.C8H15F3/c1-7-8-12(6,13(14,15)16)11(9(2)3)10(4)5;1-7-11(6,12(13,14)15)10(8(2)3)9(4)5;1-6-9-11(5,12(13,14)15)10(4,7-2)8-3;1-6-9(4,7-2)10(5,8-3)11(12,13)14;1-5-8-10(4,11(12,13)14)9(6-2)7-3;1-5-6-9(4,7-8(2)3)10(11,12)13;1-5-8(6-2)9(4,7-3)10(11,12)13;1-6(2)8(5,7(3)4)9(10,11)12;1-4-6-7(3,5-2)8(9,10)11/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;6-7H,1-5H3;4-6H2,1-3H3/t12-;2*11-;2*10-;2*9-;;7-/m0000000.0/s1
InChIKeyIKMMMGJNFLLXKX-XDPQJDAYSA-N
XLogP41.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001850.47
LogP ≤ 541.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane with MolForge

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Related Compounds

2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;2,3-dimethyl-3-(trifluoromethyl)pentane;3-ethyl-2,2-dimethylpentane;4-ethyl-3-methyl-3-(trifluoromethyl)hexane;3-ethyl-2,2,3-trimethylpentane;1-fluoro-1,4,4-trimethylcyclohexane;3-methyl-3-(trifluoromethyl)hexane;3-methyl-3-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,4-trimethyl-3-propan-2-ylpentane;2,2,3-trimethylbutane
CID 163711596
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
CID 165078400
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;3-ethyl-2,2-dimethylpentane;3-ethyl-2,2,3-trimethylpentane;1-fluoro-1,4,4-trimethylcyclohexane;1,1,1-trifluoro-2,2,4-trimethyl-3-propan-2-ylpentane;2,2,3-trimethylbutane
CID 165039353
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
CID 156674441
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;3-fluoro-2,3-dimethylpentane;1-fluoro-1-methylcyclohexane;4-fluoro-4-methylheptane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-methyl-3-(trifluoromethyl)pentane;2,3,4-trimethyl-3-(trifluoromethyl)pentane
CID 167577471
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
CID 163907655
(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
CID 164949664

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane?
The IUPAC name of (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane (CID 165002174) is (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane?
The canonical SMILES for (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane is CC(C)C(C)(C(C)C)C(F)(F)F.CCC(C)(CC)[C@](C)(CC)C(F)(F)F.CCC(CC)[C@](C)(CC)C(F)(F)F.CCC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F.CCC[C@@](C)(C(CC)CC)C(F)(F)F.CCC[C@@](C)(CC(C)C)C(F)(F)F.CCC[C@](C)(C(F)(F)F)C(C)(CC)CC.CCC[C@](C)(CC)C(F)(F)F.CC[C@@](C)(C(C(C)C)C(C)C)C(F)(F)F.
What is the InChIKey of (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane?
The InChIKey is IKMMMGJNFLLXKX-XDPQJDAYSA-N. The full InChI is InChI=1S/C13H25F3.2C12H23F3.2C11H21F3.2C10H19F3.C9H17F3.C8H15F3/c1-7-8-12(6,13(14,15)16)11(9(2)3)10(4)5;1-7-11(6,12(13,14)15)10(8(2)3)9(4)5;1-6-9-11(5,12(13,14)15)10(4,7-2)8-3;1-6-9(4,7-2)10(5,8-3)11(12,13)14;1-5-8-10(4,11(12,13)14)9(6-2)7-3;1-5-6-9(4,7-8(2)3)10(11,12)13;1-5-8(6-2)9(4,7-3)10(11,12)13;1-6(2)8(5,7(3)4)9(10,11)12;1-4-6-7(3,5-2)8(9,10)11/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;6-7H,1-5H3;4-6H2,1-3H3/t12-;2*11-;2*10-;2*9-;;7-/m0000000.0/s1.
What are the key properties of (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane?
(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane has a molecular weight of 1850.47 g/mol, XLogP of 41.38, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane;(4S)-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)hexane;(4S)-2,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)heptane;(4S)-3-ethyl-3,4-dimethyl-4-(trifluoromethyl)hexane;(4S)-3-ethyl-4-methyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-3-methyl-3-(trifluoromethyl)hexane;(3S)-3-methyl-3-(trifluoromethyl)hexane;2,3,4-trimethyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 165002174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).