(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile

C8H6ClFN2 — CID 130634473

IUPAC(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C8H6ClFN2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyDWPGRTCWYAKTCD-QMMMGPOBSA-N
MW184.60 g/mol
LogP2.00
Rot. Bonds1

About (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile

(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile (PubChem CID 130634473) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
PubChem CID130634473
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1cc(Cl)ccc1F
InChIInChI=1S/C8H6ClFN2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyDWPGRTCWYAKTCD-QMMMGPOBSA-N
XLogP2.00
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
CID 51887355
1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 114885910
2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile
CID 114859351
(2R)-2-amino-2-(4-chloro-2-nitrophenyl)acetonitrile
CID 131015148
2-amino-2-(7-chloroisoquinolin-4-yl)acetonitrile
CID 167523216
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
CID 130060116
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
3-(5-chloro-2-fluorophenyl)-3-(dimethylamino)propanenitrile
CID 116909950
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile (CID 130634473) is (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile is N#C[C@H](N)c1cc(Cl)ccc1F.
What is the InChIKey of (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile?
The InChIKey is DWPGRTCWYAKTCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6ClFN2/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile?
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile has a molecular weight of 184.60 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile is sourced from PubChem (CID 130634473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).