4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile

C19H28FN — CID 19695420

IUPAC4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2=CCC(CC/C=C/CCF)CC2)CC1
InChIInChI=1S/C19H28FN/c20-14-4-2-1-3-5-16-6-10-18(11-7-16)19-12-8-17(15-21)9-13-19/h1-2,10,16-17,19H,3-9,11-14H2/b2-1+
InChIKeyWPLACERTLDFWBJ-OWOJBTEDSA-N
MW289.44 g/mol
LogP5.74
Rot. Bonds6

About 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile

4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile (PubChem CID 19695420) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile
PubChem CID19695420
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2=CCC(CC/C=C/CCF)CC2)CC1
InChIInChI=1S/C19H28FN/c20-14-4-2-1-3-5-16-6-10-18(11-7-16)19-12-8-17(15-21)9-13-19/h1-2,10,16-17,19H,3-9,11-14H2/b2-1+
InChIKeyWPLACERTLDFWBJ-OWOJBTEDSA-N
XLogP5.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.74
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-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile (CID 19695420) is 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile is N#CC1CCC(C2=CCC(CC/C=C/CCF)CC2)CC1.
What is the InChIKey of 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is WPLACERTLDFWBJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H28FN/c20-14-4-2-1-3-5-16-6-10-18(11-7-16)19-12-8-17(15-21)9-13-19/h1-2,10,16-17,19H,3-9,11-14H2/b2-1+.
What are the key properties of 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile?
4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 289.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-6-fluorohex-3-enyl]cyclohexen-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 19695420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).