(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile

C9H9FN2 — CID 28520327

IUPAC(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
SMILESCN[C@@H](C#N)c1ccccc1F
InChIInChI=1S/C9H9FN2/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9,12H,1H3/t9-/m0/s1
InChIKeyKFFKATVFYIXXMS-VIFPVBQESA-N
MW164.18 g/mol
LogP1.61
Rot. Bonds2

About (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile

(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile (PubChem CID 28520327) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
PubChem CID28520327
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
SMILESCN[C@@H](C#N)c1ccccc1F
InChIInChI=1S/C9H9FN2/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9,12H,1H3/t9-/m0/s1
InChIKeyKFFKATVFYIXXMS-VIFPVBQESA-N
XLogP1.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
CID 62354655
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
2-fluoro-2-(2-fluorophenyl)acetonitrile
CID 53400325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile?
The IUPAC name of (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile (CID 28520327) is (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile is CN[C@@H](C#N)c1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile?
The InChIKey is KFFKATVFYIXXMS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FN2/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9,12H,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile?
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile has a molecular weight of 164.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 28520327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).