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

C32H37F — CID 90730414

IUPAC2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C32H37F/c1-3-4-6-11-30-20-21-31(23-32(30)33)29-18-16-28(17-19-29)27-14-12-25(13-15-27)22-24(2)26-9-7-5-8-10-26/h3-5,7-10,16-21,23-25,27H,6,11-15,22H2,1-2H3/t24-,25?,27?/m1/s1
InChIKeyFBWXOMOWWQMDBV-VTRCLXOYSA-N
MW440.65 g/mol
LogP9.47
Rot. Bonds8

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

2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene (PubChem CID 90730414) has the molecular formula C32H37F and a molecular weight of 440.65 g/mol. Its IUPAC name is 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
PubChem CID90730414
Molecular FormulaC32H37F
Molecular Weight440.65 g/mol
Exact Mass440.29
IUPAC Name2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C32H37F/c1-3-4-6-11-30-20-21-31(23-32(30)33)29-18-16-28(17-19-29)27-14-12-25(13-15-27)22-24(2)26-9-7-5-8-10-26/h3-5,7-10,16-21,23-25,27H,6,11-15,22H2,1-2H3/t24-,25?,27?/m1/s1
InChIKeyFBWXOMOWWQMDBV-VTRCLXOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene (CID 90730414) is 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene is CC=CCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The InChIKey is FBWXOMOWWQMDBV-VTRCLXOYSA-N. The full InChI is InChI=1S/C32H37F/c1-3-4-6-11-30-20-21-31(23-32(30)33)29-18-16-28(17-19-29)27-14-12-25(13-15-27)22-24(2)26-9-7-5-8-10-26/h3-5,7-10,16-21,23-25,27H,6,11-15,22H2,1-2H3/t24-,25?,27?/m1/s1.
What are the key properties of 2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene has a molecular weight of 440.65 g/mol, XLogP of 9.47, 8 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-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 90730414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).