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

C64H138F4 — CID 165039353

IUPAC2,2-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
SMILESCC(C)(C)C.CC(C)C(C(C)C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C.CC1(C)CCC(C)(F)CC1.CCC(C)(C)C.CCC(C)(CC)C(C)(C)C.CCC(CC)C(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C11H21F3.C10H22.C9H17F.C9H20.2C7H16.C6H14.C5H12/c1-7(2)9(8(3)4)10(5,6)11(12,13)14;1-7-10(6,8-2)9(3,4)5;1-8(2)4-6-9(3,10)7-5-8;1-6-8(7-2)9(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h7-9H,1-6H3;7-8H2,1-6H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3
InChIKeyNWNMPCRSESNLNU-UHFFFAOYSA-N
MW983.80 g/mol
LogP25.16
Rot. Bonds8

About 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

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 (PubChem CID 165039353) has the molecular formula C64H138F4 and a molecular weight of 983.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID165039353
Molecular FormulaC64H138F4
Molecular Weight983.80 g/mol
Exact Mass983.07
IUPAC Name2,2-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
SMILESCC(C)(C)C.CC(C)C(C(C)C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C.CC1(C)CCC(C)(F)CC1.CCC(C)(C)C.CCC(C)(CC)C(C)(C)C.CCC(CC)C(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C11H21F3.C10H22.C9H17F.C9H20.2C7H16.C6H14.C5H12/c1-7(2)9(8(3)4)10(5,6)11(12,13)14;1-7-10(6,8-2)9(3,4)5;1-8(2)4-6-9(3,10)7-5-8;1-6-8(7-2)9(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h7-9H,1-6H3;7-8H2,1-6H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3
InChIKeyNWNMPCRSESNLNU-UHFFFAOYSA-N
XLogP25.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.80
LogP ≤ 525.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane
CID 159042771
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
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
CID 165002178
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
CID 163897085
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
CID 159604083
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
CID 167634531
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
CID 163431133
3,5-diethyl-4-fluoro-4-methylheptane;1,1-difluoro-4-methylcyclohexane;2,2-dimethylbutane;bis(2,2-dimethylpropane);1-fluoro-1-methylcyclohexane;1,1,1-trifluoro-2-methylbutane
CID 167537039
2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane
CID 167619749
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
CID 156674441

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C.CC(C)C(C(C)C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C.CC1(C)CCC(C)(F)CC1.CCC(C)(C)C.CCC(C)(CC)C(C)(C)C.CCC(CC)C(C)(C)C.CCCC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is NWNMPCRSESNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3.C10H22.C9H17F.C9H20.2C7H16.C6H14.C5H12/c1-7(2)9(8(3)4)10(5,6)11(12,13)14;1-7-10(6,8-2)9(3,4)5;1-8(2)4-6-9(3,10)7-5-8;1-6-8(7-2)9(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h7-9H,1-6H3;7-8H2,1-6H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3.
What are the key properties of 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?
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 has a molecular weight of 983.80 g/mol, XLogP of 25.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165039353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).