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

C30H41F — CID 634522

IUPAC2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H41F/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)28-19-20-29(30(31)21-28)27-13-9-23(6-4-2)10-14-27/h15-24,27H,3-14H2,1-2H3
InChIKeyHLHNFCMOOSVBOU-UHFFFAOYSA-N
MW420.66 g/mol
LogP9.64
Rot. Bonds7

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

2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 634522) has the molecular formula C30H41F and a molecular weight of 420.66 g/mol. Its IUPAC name is 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID634522
Molecular FormulaC30H41F
Molecular Weight420.66 g/mol
Exact Mass420.32
IUPAC Name2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H41F/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)28-19-20-29(30(31)21-28)27-13-9-23(6-4-2)10-14-27/h15-24,27H,3-14H2,1-2H3
InChIKeyHLHNFCMOOSVBOU-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 634522) is 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is HLHNFCMOOSVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)28-19-20-29(30(31)21-28)27-13-9-23(6-4-2)10-14-27/h15-24,27H,3-14H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 420.66 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 634522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).