5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile

C13H12FN — CID 156651034

IUPAC5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile
SMILESC=Cc1cc(F)c(C)c(C#N)c1/C=C\C
InChIInChI=1S/C13H12FN/c1-4-6-11-10(5-2)7-13(14)9(3)12(11)8-15/h4-7H,2H2,1,3H3/b6-4-
InChIKeyJJKBWZNPKIUMQV-XQRVVYSFSA-N
MW201.24 g/mol
LogP3.68
Rot. Bonds2

About 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile

5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile (PubChem CID 156651034) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile
PubChem CID156651034
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile
SMILESC=Cc1cc(F)c(C)c(C#N)c1/C=C\C
InChIInChI=1S/C13H12FN/c1-4-6-11-10(5-2)7-13(14)9(3)12(11)8-15/h4-7H,2H2,1,3H3/b6-4-
InChIKeyJJKBWZNPKIUMQV-XQRVVYSFSA-N
XLogP3.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
CID 153344480
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
CID 139403704
2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
CID 174282228
1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
4-bromo-5-ethenyl-2-fluorobenzonitrile
CID 170902724
3-fluoro-6-iodo-2-methylbenzonitrile
CID 154845403
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
4-carbazol-9-yl-3-[3-ethenyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2-[(Z)-prop-1-enyl]pyrrol-1-yl]-2,5,6-trimethylbenzonitrile
CID 134217236
4-[2-(2,6-difluoro-4-prop-1-enylphenyl)ethynyl]-2-fluorobenzonitrile
CID 71402741
2-ethenyl-4-fluorobenzonitrile
CID 59556337

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile?
The IUPAC name of 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile (CID 156651034) is 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile.
What is the SMILES notation for 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile?
The canonical SMILES for 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile is C=Cc1cc(F)c(C)c(C#N)c1/C=C\C.
What is the InChIKey of 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile?
The InChIKey is JJKBWZNPKIUMQV-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H12FN/c1-4-6-11-10(5-2)7-13(14)9(3)12(11)8-15/h4-7H,2H2,1,3H3/b6-4-.
What are the key properties of 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile?
5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile has a molecular weight of 201.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile is sourced from PubChem (CID 156651034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).