(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid

C9H9ClFNO2 — CID 93280060

IUPAC(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-12-8(9(13)14)7-5(10)3-2-4-6(7)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyDPTRAKXNEKJJNG-MRVPVSSYSA-N
MW217.63 g/mol
LogP1.82
Rot. Bonds3

About (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid

(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid (PubChem CID 93280060) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
PubChem CID93280060
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
SMILESCN[C@@H](C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-12-8(9(13)14)7-5(10)3-2-4-6(7)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyDPTRAKXNEKJJNG-MRVPVSSYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892847
2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60991180
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
2-(2-chloro-6-fluorophenyl)hexanoic acid
CID 175420483
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid (CID 93280060) is (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid is CN[C@@H](C(=O)O)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid?
The InChIKey is DPTRAKXNEKJJNG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-12-8(9(13)14)7-5(10)3-2-4-6(7)11/h2-4,8,12H,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid?
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid has a molecular weight of 217.63 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 93280060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).