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

C10H9FN2O — CID 102885920

IUPAC(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(N)=C/C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-4,6H,13H2,1H3/b10-4-
InChIKeyOSRSCHFERFYTHK-WMZJFQQLSA-N
MW192.19 g/mol
LogP1.66
Rot. Bonds2

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

(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile (PubChem CID 102885920) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
PubChem CID102885920
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(N)=C/C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-4,6H,13H2,1H3/b10-4-
InChIKeyOSRSCHFERFYTHK-WMZJFQQLSA-N
XLogP1.66
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 102883607
(2Z)-2-[amino-(2-fluoro-4-methoxyphenyl)methylidene]butanenitrile
CID 102885932
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
(4-cyano-3,5-difluorophenyl) 2-fluoro-4-methoxybenzoate;methanamine
CID 90899998
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
CID 137320304
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
3-(2-fluoro-4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 102883259
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile (CID 102885920) is (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile is COc1ccc(/C(N)=C/C#N)c(F)c1.
What is the InChIKey of (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is OSRSCHFERFYTHK-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-4,6H,13H2,1H3/b10-4-.
What are the key properties of (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile?
(Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 192.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 102885920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).