1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene

C32H42F2 — CID 90787490

IUPAC1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESCC=CCCc1c(F)cc(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C32H42F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3/t23-,24?,26?,27?,28?/m0/s1
InChIKeyAOCCOIAFAGZFRG-UIWCYTBLSA-N
MW464.68 g/mol
LogP9.75
Rot. Bonds8

About 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene

1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 90787490) has the molecular formula C32H42F2 and a molecular weight of 464.68 g/mol. Its IUPAC name is 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
PubChem CID90787490
Molecular FormulaC32H42F2
Molecular Weight464.68 g/mol
Exact Mass464.33
IUPAC Name1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESCC=CCCc1c(F)cc(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C32H42F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3/t23-,24?,26?,27?,28?/m0/s1
InChIKeyAOCCOIAFAGZFRG-UIWCYTBLSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 59.75
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

1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136
2-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-5-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 58698391
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
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91059235
1,3-difluoro-5-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698580
2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
2-[4-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867301
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (CID 90787490) is 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is CC=CCCc1c(F)cc(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.
What is the InChIKey of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is AOCCOIAFAGZFRG-UIWCYTBLSA-N. The full InChI is InChI=1S/C32H42F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3/t23-,24?,26?,27?,28?/m0/s1.
What are the key properties of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 464.68 g/mol, XLogP of 9.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 90787490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).