1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene

C22H25F3 — CID 139710939

IUPAC1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
SMILESCCCCC1CCC(c2ccc(-c3cc(F)cc(F)c3)c(F)c2)CC1
InChIInChI=1S/C22H25F3/c1-2-3-4-15-5-7-16(8-6-15)17-9-10-21(22(25)13-17)18-11-19(23)14-20(24)12-18/h9-16H,2-8H2,1H3
InChIKeyBCGWLQPDFYUCDV-UHFFFAOYSA-N
MW346.44 g/mol
LogP7.23
Rot. Bonds5

About 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene

1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene (PubChem CID 139710939) has the molecular formula C22H25F3 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
PubChem CID139710939
Molecular FormulaC22H25F3
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
SMILESCCCCC1CCC(c2ccc(-c3cc(F)cc(F)c3)c(F)c2)CC1
InChIInChI=1S/C22H25F3/c1-2-3-4-15-5-7-16(8-6-15)17-9-10-21(22(25)13-17)18-11-19(23)14-20(24)12-18/h9-16H,2-8H2,1H3
InChIKeyBCGWLQPDFYUCDV-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.44
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene?
The IUPAC name of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene (CID 139710939) is 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene is CCCCC1CCC(c2ccc(-c3cc(F)cc(F)c3)c(F)c2)CC1.
What is the InChIKey of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene?
The InChIKey is BCGWLQPDFYUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3/c1-2-3-4-15-5-7-16(8-6-15)17-9-10-21(22(25)13-17)18-11-19(23)14-20(24)12-18/h9-16H,2-8H2,1H3.
What are the key properties of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene?
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene has a molecular weight of 346.44 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene is sourced from PubChem (CID 139710939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).