(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile

C10H7ClFNO — CID 102883607

IUPAC(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(Cl)=C/C#N)c(F)c1
InChIInChI=1S/C10H7ClFNO/c1-14-7-2-3-8(10(12)6-7)9(11)4-5-13/h2-4,6H,1H3/b9-4-
InChIKeyYIXCKRRELNLZHZ-WTKPLQERSA-N
MW211.62 g/mol
LogP2.94
Rot. Bonds2

About (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile

(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile (PubChem CID 102883607) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
PubChem CID102883607
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(Cl)=C/C#N)c(F)c1
InChIInChI=1S/C10H7ClFNO/c1-14-7-2-3-8(10(12)6-7)9(11)4-5-13/h2-4,6H,1H3/b9-4-
InChIKeyYIXCKRRELNLZHZ-WTKPLQERSA-N
XLogP2.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 102885920
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
CID 174542772
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
(2Z)-2-[amino-(2-fluoro-4-methoxyphenyl)methylidene]butanenitrile
CID 102885932
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(4-cyano-3,5-difluorophenyl) 2-fluoro-4-methoxybenzoate;methanamine
CID 90899998
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile (CID 102883607) is (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile is COc1ccc(/C(Cl)=C/C#N)c(F)c1.
What is the InChIKey of (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is YIXCKRRELNLZHZ-WTKPLQERSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-14-7-2-3-8(10(12)6-7)9(11)4-5-13/h2-4,6H,1H3/b9-4-.
What are the key properties of (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 211.62 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 102883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).