(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid

C10H10ClFO2 — CID 42327266

IUPAC(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
SMILESC[C@@H](Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGSNYSUXEMOLMAP-LURJTMIESA-N
MW216.64 g/mol
LogP2.74
Rot. Bonds3

About (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid

(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid (PubChem CID 42327266) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
PubChem CID42327266
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
SMILESC[C@@H](Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGSNYSUXEMOLMAP-LURJTMIESA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
CID 42327538
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 61495740
(2R)-3-(2-chloro-6-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165350711
3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
(Z)-3-[(2-chloro-6-fluorophenyl)methyl]-4-methylpent-2-enoic acid
CID 82089059
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-[(2-chloro-6-fluorophenyl)methyl]-1-phenylbutane-1,3-dione
CID 2765743

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid (CID 42327266) is (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid is C[C@@H](Cc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is GSNYSUXEMOLMAP-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid?
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 42327266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).