(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile

C11H11FN2 — CID 71683830

IUPAC(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2/c1-14(2)8-9(7-13)10-5-3-4-6-11(10)12/h3-6,8H,1-2H3/b9-8+
InChIKeyGJMTYJOZYAORQU-CMDGGOBGSA-N
MW190.22 g/mol
LogP2.25
Rot. Bonds2

About (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile

(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile (PubChem CID 71683830) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
PubChem CID71683830
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2/c1-14(2)8-9(7-13)10-5-3-4-6-11(10)12/h3-6,8H,1-2H3/b9-8+
InChIKeyGJMTYJOZYAORQU-CMDGGOBGSA-N
XLogP2.25
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.25
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-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953
methyl (Z)-4-cyano-4-(2-fluorophenyl)but-3-enoate
CID 177406232
(Z)-3-(dimethylamino)-2-(1H-indol-3-yl)prop-2-enenitrile
CID 53214353
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(dimethylamino)prop-2-enenitrile
CID 82116819
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
2-(2-fluorophenyl)ethene-1,1,2-tricarbonitrile
CID 91181547
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 3979739
(Z)-2-(2,6-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 67791369
3-(2-fluorophenyl)but-2-enenitrile
CID 76913879
2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 974306
(E)-2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2219144
N,N-dimethylformamide;2-fluorobenzoic acid
CID 175257131

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile (CID 71683830) is (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile is CN(C)/C=C(\C#N)c1ccccc1F.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile?
The InChIKey is GJMTYJOZYAORQU-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H11FN2/c1-14(2)8-9(7-13)10-5-3-4-6-11(10)12/h3-6,8H,1-2H3/b9-8+.
What are the key properties of (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile?
(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile has a molecular weight of 190.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 71683830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).