(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile

C12H14FN — CID 166823901

IUPAC(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile
SMILESC=C/C(F)=C\C=C1/CCCCC1C#N
InChIInChI=1S/C12H14FN/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-14/h2,7-8,11H,1,3-6H2/b10-7+,12-8+
InChIKeyHWAYGTGWNQZQJA-SMTGYRLFSA-N
MW191.25 g/mol
LogP3.67
Rot. Bonds2

About (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile

(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile (PubChem CID 166823901) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile
PubChem CID166823901
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile
SMILESC=C/C(F)=C\C=C1/CCCCC1C#N
InChIInChI=1S/C12H14FN/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-14/h2,7-8,11H,1,3-6H2/b10-7+,12-8+
InChIKeyHWAYGTGWNQZQJA-SMTGYRLFSA-N
XLogP3.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexene-1-acetonitrile
CID 241642
(2e)-1-Cyano-3-cyclohexyl-2-propene
CID 13643073
2-(Cyclohexylmethyl)-2-fluorohexa-3,5-dienenitrile
CID 56615957
5-Cyclohexyl-2-fluoropenta-2,4-dienenitrile
CID 56620128
7-Cyclohexyl-2-fluorohepta-2,4-dienenitrile
CID 56632686
(5S)-2-fluoro-5-methylcyclohexa-1,3-diene-1-carbonitrile
CID 67968123
4-Fluoro-5-methylcyclohexene-1-carbonitrile
CID 70190485
5-(1,2-Difluoro-2-methylpropyl)cyclohexa-1,3-diene-1-carbonitrile
CID 70316371
2,6-difluoro-4-[(3E,5Z)-octa-1,3,5-trien-4-yl]cyclohex-2-ene-1-carbonitrile
CID 89277372
4-Ethyl-3-fluoro-5-methylcyclohexa-1,3-diene-1-carbonitrile
CID 91296693
(2E)-7-fluoro-6-methyl-2-prop-2-enylideneoctanenitrile
CID 124175579
5-Methyl-2-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 126663799

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile?
The IUPAC name of (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile (CID 166823901) is (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile.
What is the SMILES notation for (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile?
The canonical SMILES for (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile is C=C/C(F)=C\C=C1/CCCCC1C#N.
What is the InChIKey of (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile?
The InChIKey is HWAYGTGWNQZQJA-SMTGYRLFSA-N. The full InChI is InChI=1S/C12H14FN/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-14/h2,7-8,11H,1,3-6H2/b10-7+,12-8+.
What are the key properties of (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile?
(2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile has a molecular weight of 191.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohexane-1-carbonitrile is sourced from PubChem (CID 166823901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).