1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene

C21H25F — CID 611152

IUPAC1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3
InChIKeyDYBQDZYHNOGWIK-UHFFFAOYSA-N
MW296.43 g/mol
LogP6.57
Rot. Bonds4

About 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 611152) has the molecular formula C21H25F and a molecular weight of 296.43 g/mol. Its IUPAC name is 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID611152
Molecular FormulaC21H25F
Molecular Weight296.43 g/mol
Exact Mass296.19
IUPAC Name1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3
InChIKeyDYBQDZYHNOGWIK-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.43
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
CID 23364743
CID 23364743
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 160557859
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 611152) is 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is DYBQDZYHNOGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3.
What are the key properties of 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 296.43 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).