2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile

C10H10F2N2 — CID 43115122

IUPAC2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2/c1-2-14-10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10,14H,2H2,1H3
InChIKeyQEFHNYHBLCTCTO-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.14
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile

2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile (PubChem CID 43115122) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
PubChem CID43115122
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2/c1-2-14-10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10,14H,2H2,1H3
InChIKeyQEFHNYHBLCTCTO-UHFFFAOYSA-N
XLogP2.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
2-(4-chloro-3-fluorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62355288
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
2-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)acetonitrile
CID 63648622

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile (CID 43115122) is 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile is CCNC(C#N)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile?
The InChIKey is QEFHNYHBLCTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-2-14-10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10,14H,2H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile?
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile has a molecular weight of 196.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile is sourced from PubChem (CID 43115122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).