4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile

C20H32FN — CID 19695247

IUPAC4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CCC2CCC(/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H32FN/c21-15-3-1-2-4-17-5-7-18(8-6-17)9-10-19-11-13-20(16-22)14-12-19/h2,4,17-20H,1,3,5-15H2/b4-2+
InChIKeyRDOYNAAXBLGSON-DUXPYHPUSA-N
MW305.48 g/mol
LogP6.21
Rot. Bonds7

About 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile

4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (PubChem CID 19695247) has the molecular formula C20H32FN and a molecular weight of 305.48 g/mol. Its IUPAC name is 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
PubChem CID19695247
Molecular FormulaC20H32FN
Molecular Weight305.48 g/mol
Exact Mass305.25
IUPAC Name4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CCC2CCC(/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H32FN/c21-15-3-1-2-4-17-5-7-18(8-6-17)9-10-19-11-13-20(16-22)14-12-19/h2,4,17-20H,1,3,5-15H2/b4-2+
InChIKeyRDOYNAAXBLGSON-DUXPYHPUSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (CID 19695247) is 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is N#CC1CCC(CCC2CCC(/C=C/CCCF)CC2)CC1.
What is the InChIKey of 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The InChIKey is RDOYNAAXBLGSON-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H32FN/c21-15-3-1-2-4-17-5-7-18(8-6-17)9-10-19-11-13-20(16-22)14-12-19/h2,4,17-20H,1,3,5-15H2/b4-2+.
What are the key properties of 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile has a molecular weight of 305.48 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 19695247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).