1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene

C23H28F2 — CID 23188567

IUPAC1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(CC(C)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H28F2/c1-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(2,24)25/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3
InChIKeyQDSMGWBTJYSELQ-UHFFFAOYSA-N
MW342.47 g/mol
LogP7.24
Rot. Bonds5

About 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene

1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene (PubChem CID 23188567) has the molecular formula C23H28F2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
PubChem CID23188567
Molecular FormulaC23H28F2
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC Name1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(CC(C)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H28F2/c1-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(2,24)25/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3
InChIKeyQDSMGWBTJYSELQ-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
CID 54084592
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
CID 20539163
1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene
CID 169171689
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene (CID 23188567) is 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene is CCC1CCC(c2ccc(-c3ccc(CC(C)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The InChIKey is QDSMGWBTJYSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2/c1-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(2,24)25/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene has a molecular weight of 342.47 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 23188567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).