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

C30H35F — CID 90464381

IUPAC2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)cc1
InChIInChI=1S/C30H35F/c1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26/h9-10,13-22,24H,3-8,11-12H2,1-2H3
InChIKeyNDTWDTKISRHZEL-UHFFFAOYSA-N
MW414.61 g/mol
LogP9.19
Rot. Bonds7

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

2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene (PubChem CID 90464381) has the molecular formula C30H35F and a molecular weight of 414.61 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene
PubChem CID90464381
Molecular FormulaC30H35F
Molecular Weight414.61 g/mol
Exact Mass414.27
IUPAC Name2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)cc1
InChIInChI=1S/C30H35F/c1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26/h9-10,13-22,24H,3-8,11-12H2,1-2H3
InChIKeyNDTWDTKISRHZEL-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 59.19
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-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene?
The IUPAC name of 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene (CID 90464381) is 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene?
The canonical SMILES for 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene?
The InChIKey is NDTWDTKISRHZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F/c1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26/h9-10,13-22,24H,3-8,11-12H2,1-2H3.
What are the key properties of 2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene?
2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene has a molecular weight of 414.61 g/mol, XLogP of 9.19, 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-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene is sourced from PubChem (CID 90464381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).