(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane

C15H29F3 — CID 167052231

IUPAC(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
SMILESCCC(CC)[C@](C)(C(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-8-12(9-2)14(7,15(16,17)18)13(10(3)4)11(5)6/h10-13H,8-9H2,1-7H3/t14-/m1/s1
InChIKeySCVVUXJSWBKBDK-CQSZACIVSA-N
MW266.39 g/mol
LogP5.92
Rot. Bonds6

About (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane

(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane (PubChem CID 167052231) has the molecular formula C15H29F3 and a molecular weight of 266.39 g/mol. Its IUPAC name is (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane.

Molecular Properties

Compound Name(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
PubChem CID167052231
Molecular FormulaC15H29F3
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
SMILESCCC(CC)[C@](C)(C(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-8-12(9-2)14(7,15(16,17)18)13(10(3)4)11(5)6/h10-13H,8-9H2,1-7H3/t14-/m1/s1
InChIKeySCVVUXJSWBKBDK-CQSZACIVSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
CID 163690982
3,5-diethyl-4,4-difluoroheptane
CID 137390783
3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane
CID 164969219
3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
CID 166589252
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
3-ethyl-2,2-difluorohexane
CID 155700319
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
CID 156674441
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
CID 87186007

Frequently Asked Questions

What is the IUPAC name of (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane?
The IUPAC name of (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane (CID 167052231) is (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane.
What is the SMILES notation for (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane?
The canonical SMILES for (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane is CCC(CC)[C@](C)(C(C(C)C)C(C)C)C(F)(F)F.
What is the InChIKey of (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane?
The InChIKey is SCVVUXJSWBKBDK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29F3/c1-8-12(9-2)14(7,15(16,17)18)13(10(3)4)11(5)6/h10-13H,8-9H2,1-7H3/t14-/m1/s1.
What are the key properties of (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane?
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane has a molecular weight of 266.39 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane is sourced from PubChem (CID 167052231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).