1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene

C17H24F2 — CID 163547034

IUPAC1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene
SMILESCC(C)C1CCC[C@H](c2cccc(C(C)(F)F)c2)C1
InChIInChI=1S/C17H24F2/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(3,18)19/h5,8-9,11-14H,4,6-7,10H2,1-3H3/t13?,14-/m0/s1
InChIKeyFFXFIVRNLGISLX-KZUDCZAMSA-N
MW266.38 g/mol
LogP5.73
Rot. Bonds3

About 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene

1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene (PubChem CID 163547034) has the molecular formula C17H24F2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene
PubChem CID163547034
Molecular FormulaC17H24F2
Molecular Weight266.38 g/mol
Exact Mass266.18
IUPAC Name1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene
SMILESCC(C)C1CCC[C@H](c2cccc(C(C)(F)F)c2)C1
InChIInChI=1S/C17H24F2/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(3,18)19/h5,8-9,11-14H,4,6-7,10H2,1-3H3/t13?,14-/m0/s1
InChIKeyFFXFIVRNLGISLX-KZUDCZAMSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
CID 174725308
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
4-(3-propan-2-ylcyclohexyl)phenol
CID 139438359
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
CID 135179101
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114606456
2-(3-cyclobutylphenyl)-2,2-difluoroacetic acid
CID 114605676

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene?
The IUPAC name of 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene (CID 163547034) is 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene is CC(C)C1CCC[C@H](c2cccc(C(C)(F)F)c2)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene?
The InChIKey is FFXFIVRNLGISLX-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H24F2/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(3,18)19/h5,8-9,11-14H,4,6-7,10H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene?
1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene is sourced from PubChem (CID 163547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).