1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane

C10H15F5 — CID 171746482

IUPAC1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
SMILESCC(C)C1(C(F)(F)F)CCC(F)(F)CC1
InChIInChI=1S/C10H15F5/c1-7(2)8(10(13,14)15)3-5-9(11,12)6-4-8/h7H,3-6H2,1-2H3
InChIKeyBDTKQCMQBDBBMR-UHFFFAOYSA-N
MW230.22 g/mol
LogP4.40
Rot. Bonds1

About 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane

1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane (PubChem CID 171746482) has the molecular formula C10H15F5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
PubChem CID171746482
Molecular FormulaC10H15F5
Molecular Weight230.22 g/mol
Exact Mass230.11
IUPAC Name1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
SMILESCC(C)C1(C(F)(F)F)CCC(F)(F)CC1
InChIInChI=1S/C10H15F5/c1-7(2)8(10(13,14)15)3-5-9(11,12)6-4-8/h7H,3-6H2,1-2H3
InChIKeyBDTKQCMQBDBBMR-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
4-propan-2-yl-4-(trifluoromethyl)cyclopentene
CID 89050504
1-butan-2-yl-1-(trifluoromethyl)cyclopropane
CID 146393264
1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394797
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170588350
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
cumene;propan-2-ylcyclopropane;propan-2-yloxybenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 167599935
1-butan-2-yl-3,3-difluoro-1-(trifluoromethyl)cyclobutane
CID 146382834
4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
CID 174263036
6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
CID 174262930
2,2-difluoro-6-propan-2-yl-6-(trifluoromethyl)spiro[3.3]heptane;2-propan-2-ylspiro[3.3]heptane-2-carbonitrile
CID 176555013
ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane
CID 176555049

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane (CID 171746482) is 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane is CC(C)C1(C(F)(F)F)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane?
The InChIKey is BDTKQCMQBDBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5/c1-7(2)8(10(13,14)15)3-5-9(11,12)6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane?
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane has a molecular weight of 230.22 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 171746482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).