1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene

C30H40F2 — CID 139710818

IUPAC1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C(C)CC2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C30H40F2/c1-3-4-22-5-9-24(10-6-22)21(2)19-23-7-11-25(12-8-23)26-13-15-27(16-14-26)28-17-18-29(31)30(32)20-28/h13-18,20-25H,3-12,19H2,1-2H3
InChIKeyMAPLXKVDYQTHFQ-UHFFFAOYSA-N
MW438.65 g/mol
LogP9.54
Rot. Bonds7

About 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene (PubChem CID 139710818) has the molecular formula C30H40F2 and a molecular weight of 438.65 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
PubChem CID139710818
Molecular FormulaC30H40F2
Molecular Weight438.65 g/mol
Exact Mass438.31
IUPAC Name1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C(C)CC2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C30H40F2/c1-3-4-22-5-9-24(10-6-22)21(2)19-23-7-11-25(12-8-23)26-13-15-27(16-14-26)28-17-18-29(31)30(32)20-28/h13-18,20-25H,3-12,19H2,1-2H3
InChIKeyMAPLXKVDYQTHFQ-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
CID 145223046
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710805
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1,2-difluoro-4-[4-[(4R,6R)-2,2,6-trideuterio-4-propylcyclohexyl]phenyl]benzene
CID 54411513
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene (CID 139710818) is 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene is CCCC1CCC(C(C)CC2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene?
The InChIKey is MAPLXKVDYQTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2/c1-3-4-22-5-9-24(10-6-22)21(2)19-23-7-11-25(12-8-23)26-13-15-27(16-14-26)28-17-18-29(31)30(32)20-28/h13-18,20-25H,3-12,19H2,1-2H3.
What are the key properties of 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene?
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene has a molecular weight of 438.65 g/mol, XLogP of 9.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 139710818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).