2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile

C11H11FN2 — CID 62354655

IUPAC2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
SMILESC=CCNC(C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h2-6,11,14H,1,7H2
InChIKeyZXZHNXFQXGCCNB-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile

2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile (PubChem CID 62354655) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
PubChem CID62354655
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
SMILESC=CCNC(C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h2-6,11,14H,1,7H2
InChIKeyZXZHNXFQXGCCNB-UHFFFAOYSA-N
XLogP2.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
2-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)acetonitrile
CID 63648622
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile (CID 62354655) is 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile is C=CCNC(C#N)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile?
The InChIKey is ZXZHNXFQXGCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h2-6,11,14H,1,7H2.
What are the key properties of 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile?
2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile has a molecular weight of 190.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile is sourced from PubChem (CID 62354655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).