2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene

C34H47F — CID 91059235

IUPAC2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
SMILESCC=CCCc1ccc(C2CCC(CCC3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C34H47F/c1-3-4-6-11-32-22-23-33(25-34(32)35)31-20-18-28(19-21-31)13-12-27-14-16-29(17-15-27)24-26(2)30-9-7-5-8-10-30/h3-5,7-10,22-23,25-29,31H,6,11-21,24H2,1-2H3/t26-,27?,28?,29?,31?/m1/s1
InChIKeyHEOZCQOSRWXAHV-PGTFODKRSA-N
MW474.75 g/mol
LogP10.39
Rot. Bonds10

About 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene

2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene (PubChem CID 91059235) has the molecular formula C34H47F and a molecular weight of 474.75 g/mol. Its IUPAC name is 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
PubChem CID91059235
Molecular FormulaC34H47F
Molecular Weight474.75 g/mol
Exact Mass474.37
IUPAC Name2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
SMILESCC=CCCc1ccc(C2CCC(CCC3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C34H47F/c1-3-4-6-11-32-22-23-33(25-34(32)35)31-20-18-28(19-21-31)13-12-27-14-16-29(17-15-27)24-26(2)30-9-7-5-8-10-30/h3-5,7-10,22-23,25-29,31H,6,11-21,24H2,1-2H3/t26-,27?,28?,29?,31?/m1/s1
InChIKeyHEOZCQOSRWXAHV-PGTFODKRSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.75
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 90787490
2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
CID 71102900
2-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-5-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 58698391
1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
CID 58699021
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
1,3-difluoro-5-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698580
2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
CID 58699243
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698753
1,3-difluoro-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698259

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene (CID 91059235) is 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene is CC=CCCc1ccc(C2CCC(CCC3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1F.
What is the InChIKey of 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The InChIKey is HEOZCQOSRWXAHV-PGTFODKRSA-N. The full InChI is InChI=1S/C34H47F/c1-3-4-6-11-32-22-23-33(25-34(32)35)31-20-18-28(19-21-31)13-12-27-14-16-29(17-15-27)24-26(2)30-9-7-5-8-10-30/h3-5,7-10,22-23,25-29,31H,6,11-21,24H2,1-2H3/t26-,27?,28?,29?,31?/m1/s1.
What are the key properties of 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene?
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene has a molecular weight of 474.75 g/mol, XLogP of 10.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene is sourced from PubChem (CID 91059235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).