(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane

C11H18F6 — CID 162565370

IUPAC(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
SMILESCCC(C)C[C@H](C)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6/c1-4-7(2)5-8(3)6-9(10(12,13)14)11(15,16)17/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyBXMZJDIIVOXPBB-MQWKRIRWSA-N
MW264.25 g/mol
LogP5.19
Rot. Bonds5

About (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane

(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane (PubChem CID 162565370) has the molecular formula C11H18F6 and a molecular weight of 264.25 g/mol. Its IUPAC name is (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane.

Molecular Properties

Compound Name(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
PubChem CID162565370
Molecular FormulaC11H18F6
Molecular Weight264.25 g/mol
Exact Mass264.13
IUPAC Name(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
SMILESCCC(C)C[C@H](C)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6/c1-4-7(2)5-8(3)6-9(10(12,13)14)11(15,16)17/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyBXMZJDIIVOXPBB-MQWKRIRWSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.25
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-fluoro-2,4-dimethylhexane
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(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
3,5,7,9,11,13,15-heptamethyloctadecane
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3,5,7,9-tetramethyldodecane
CID 91047062
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(4S)-2,4-dimethylhexane
CID 22810193
1,1,1-trifluoro-3-methylpentane
CID 21020397
4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane
CID 141460609
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CID 163585201

Frequently Asked Questions

What is the IUPAC name of (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane?
The IUPAC name of (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane (CID 162565370) is (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane.
What is the SMILES notation for (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane?
The canonical SMILES for (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane is CCC(C)C[C@H](C)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane?
The InChIKey is BXMZJDIIVOXPBB-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18F6/c1-4-7(2)5-8(3)6-9(10(12,13)14)11(15,16)17/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane?
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane has a molecular weight of 264.25 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane is sourced from PubChem (CID 162565370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).