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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).