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

C28H31F — CID 121399728

IUPAC2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)CC1
InChIInChI=1S/C28H31F/c1-3-4-21-7-11-22(12-8-21)23-13-15-25(16-14-23)27-18-17-26(19-28(27)29)24-9-5-20(2)6-10-24/h5-6,9-10,13-19,21-22H,3-4,7-8,11-12H2,1-2H3
InChIKeyMPWMSIKOQZDMRA-UHFFFAOYSA-N
MW386.55 g/mol
LogP8.54
Rot. Bonds5

About 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene

2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 121399728) has the molecular formula C28H31F and a molecular weight of 386.55 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID121399728
Molecular FormulaC28H31F
Molecular Weight386.55 g/mol
Exact Mass386.24
IUPAC Name2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)CC1
InChIInChI=1S/C28H31F/c1-3-4-21-7-11-22(12-8-21)23-13-15-25(16-14-23)27-18-17-26(19-28(27)29)24-9-5-20(2)6-10-24/h5-6,9-10,13-19,21-22H,3-4,7-8,11-12H2,1-2H3
InChIKeyMPWMSIKOQZDMRA-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.55
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);tris(4-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);bis(2-fluoro-1-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene)
CID 160613322
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
CID 19080554
CID 19080554
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene (CID 121399728) is 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is MPWMSIKOQZDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F/c1-3-4-21-7-11-22(12-8-21)23-13-15-25(16-14-23)27-18-17-26(19-28(27)29)24-9-5-20(2)6-10-24/h5-6,9-10,13-19,21-22H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene?
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 386.55 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 121399728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).