(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid

C11H12ClFO2 — CID 42327538

IUPAC(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
SMILESCC[C@H](Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFO2/c1-2-7(11(14)15)6-8-9(12)4-3-5-10(8)13/h3-5,7H,2,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeySXBLXRWPFGQLTO-SSDOTTSWSA-N
MW230.67 g/mol
LogP3.13
Rot. Bonds4

About (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid

(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid (PubChem CID 42327538) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
PubChem CID42327538
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
SMILESCC[C@H](Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFO2/c1-2-7(11(14)15)6-8-9(12)4-3-5-10(8)13/h3-5,7H,2,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeySXBLXRWPFGQLTO-SSDOTTSWSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 61495740
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
2-[(2-chloro-6-nitrophenyl)methyl]butanoic acid
CID 63745830
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 114930793
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
[1-(2-chloro-6-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105215890
(2S,3S)-2-[2-(2-chloro-6-fluorophenyl)ethylamino]-3-methylpentanoic acid
CID 122100189
2-[(2-chloro-6-fluorophenyl)methyl]-1-phenylbutane-1,3-dione
CID 2765743
4-amino-2-[(2,6-difluorophenyl)methyl]butanoic acid
CID 114935323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid (CID 42327538) is (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid is CC[C@H](Cc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid?
The InChIKey is SXBLXRWPFGQLTO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-2-7(11(14)15)6-8-9(12)4-3-5-10(8)13/h3-5,7H,2,6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid?
(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid has a molecular weight of 230.67 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid is sourced from PubChem (CID 42327538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).