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

C19H30FN — CID 19695524

IUPAC4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CCC2CCC(/C=C/CCF)CC2)CC1
InChIInChI=1S/C19H30FN/c20-14-2-1-3-16-4-6-17(7-5-16)8-9-18-10-12-19(15-21)13-11-18/h1,3,16-19H,2,4-14H2/b3-1+
InChIKeyXJDWQUWHRIGQPS-HNQUOIGGSA-N
MW291.45 g/mol
LogP5.82
Rot. Bonds6

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

4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (PubChem CID 19695524) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
PubChem CID19695524
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CCC2CCC(/C=C/CCF)CC2)CC1
InChIInChI=1S/C19H30FN/c20-14-2-1-3-16-4-6-17(7-5-16)8-9-18-10-12-19(15-21)13-11-18/h1,3,16-19H,2,4-14H2/b3-1+
InChIKeyXJDWQUWHRIGQPS-HNQUOIGGSA-N
XLogP5.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (CID 19695524) is 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is N#CC1CCC(CCC2CCC(/C=C/CCF)CC2)CC1.
What is the InChIKey of 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The InChIKey is XJDWQUWHRIGQPS-HNQUOIGGSA-N. The full InChI is InChI=1S/C19H30FN/c20-14-2-1-3-16-4-6-17(7-5-16)8-9-18-10-12-19(15-21)13-11-18/h1,3,16-19H,2,4-14H2/b3-1+.
What are the key properties of 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile has a molecular weight of 291.45 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 19695524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).