2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene

C34H41F3 — CID 67729720

IUPAC2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)c(F)c1F
InChIInChI=1S/C34H41F3/c1-3-5-6-7-8-10-28-19-22-31(34(37)33(28)36)27-17-15-26(16-18-27)30-21-20-29(23-32(30)35)25-13-11-24(9-4-2)12-14-25/h15-25H,3-14H2,1-2H3
InChIKeyFDNNIMUAIDVBFZ-UHFFFAOYSA-N
MW506.70 g/mol
LogP11.02
Rot. Bonds11

About 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene

2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene (PubChem CID 67729720) has the molecular formula C34H41F3 and a molecular weight of 506.70 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
PubChem CID67729720
Molecular FormulaC34H41F3
Molecular Weight506.70 g/mol
Exact Mass506.32
IUPAC Name2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)c(F)c1F
InChIInChI=1S/C34H41F3/c1-3-5-6-7-8-10-28-19-22-31(34(37)33(28)36)27-17-15-26(16-18-27)30-21-20-29(23-32(30)35)25-13-11-24(9-4-2)12-14-25/h15-25H,3-14H2,1-2H3
InChIKeyFDNNIMUAIDVBFZ-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-octylbenzene
CID 143772763
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-pent-3-enylbenzene
CID 77345418
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369
2,3-difluoro-1-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 118859045
CID 19609422
CID 19609422
CID 19080569
CID 19080569
5-[4-[4-(4-decyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-2-ethenyloxane
CID 67733167

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene?
The IUPAC name of 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene (CID 67729720) is 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene?
The canonical SMILES for 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene is CCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene?
The InChIKey is FDNNIMUAIDVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3/c1-3-5-6-7-8-10-28-19-22-31(34(37)33(28)36)27-17-15-26(16-18-27)30-21-20-29(23-32(30)35)25-13-11-24(9-4-2)12-14-25/h15-25H,3-14H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene?
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene has a molecular weight of 506.70 g/mol, XLogP of 11.02, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene is sourced from PubChem (CID 67729720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).