2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid

C9H5ClF4O2 — CID 131283200

IUPAC2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H5ClF4O2/c10-5-1-2-6(11)4(3-7(15)16)8(5)9(12,13)14/h1-2H,3H2,(H,15,16)
InChIKeyBAZQEOHFNGMSHR-UHFFFAOYSA-N
MW256.58 g/mol
LogP3.12
Rot. Bonds2

About 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid

2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 131283200) has the molecular formula C9H5ClF4O2 and a molecular weight of 256.58 g/mol. Its IUPAC name is 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID131283200
Molecular FormulaC9H5ClF4O2
Molecular Weight256.58 g/mol
Exact Mass255.99
IUPAC Name2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H5ClF4O2/c10-5-1-2-6(11)4(3-7(15)16)8(5)9(12,13)14/h1-2H,3H2,(H,15,16)
InChIKeyBAZQEOHFNGMSHR-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid
CID 118799910
methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
CID 171030086
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-[2-bromo-3-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 171000209
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134680429
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2,4-dichloro-3-(trifluoromethyl)benzoic acid
CID 11680461
4-chloro-3-fluoro-2-(trifluoromethyl)benzoic acid
CID 54115095
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid (CID 131283200) is 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1c(F)ccc(Cl)c1C(F)(F)F.
What is the InChIKey of 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is BAZQEOHFNGMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4O2/c10-5-1-2-6(11)4(3-7(15)16)8(5)9(12,13)14/h1-2H,3H2,(H,15,16).
What are the key properties of 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid?
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 256.58 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 131283200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).