(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile

C9H8F2N2O — CID 130625977

IUPAC(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
SMILESCOc1ccc(F)c([C@@H](N)C#N)c1F
InChIInChI=1S/C9H8F2N2O/c1-14-7-3-2-5(10)8(9(7)11)6(13)4-12/h2-3,6H,13H2,1H3/t6-/m0/s1
InChIKeyVTKAAVUCGNXSHU-LURJTMIESA-N
MW198.17 g/mol
LogP1.50
Rot. Bonds2

About (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile

(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile (PubChem CID 130625977) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
PubChem CID130625977
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
SMILESCOc1ccc(F)c([C@@H](N)C#N)c1F
InChIInChI=1S/C9H8F2N2O/c1-14-7-3-2-5(10)8(9(7)11)6(13)4-12/h2-3,6H,13H2,1H3/t6-/m0/s1
InChIKeyVTKAAVUCGNXSHU-LURJTMIESA-N
XLogP1.50
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
2-amino-2-(2-fluoro-3-methoxyphenyl)acetonitrile
CID 130060820
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile (CID 130625977) is (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile is COc1ccc(F)c([C@@H](N)C#N)c1F.
What is the InChIKey of (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile?
The InChIKey is VTKAAVUCGNXSHU-LURJTMIESA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-14-7-3-2-5(10)8(9(7)11)6(13)4-12/h2-3,6H,13H2,1H3/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile?
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile has a molecular weight of 198.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 130625977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).