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

C9H5ClF4O2 — CID 119006326

IUPAC2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H5ClF4O2/c10-8-4(3-7(15)16)6(11)2-1-5(8)9(12,13)14/h1-2H,3H2,(H,15,16)
InChIKeyIUIHCZOKKRFQGV-UHFFFAOYSA-N
MW256.58 g/mol
LogP3.12
Rot. Bonds2

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

2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 119006326) has the molecular formula C9H5ClF4O2 and a molecular weight of 256.58 g/mol. Its IUPAC name is 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
PubChem CID119006326
Molecular FormulaC9H5ClF4O2
Molecular Weight256.58 g/mol
Exact Mass255.99
IUPAC Name2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H5ClF4O2/c10-8-4(3-7(15)16)6(11)2-1-5(8)9(12,13)14/h1-2H,3H2,(H,15,16)
InChIKeyIUIHCZOKKRFQGV-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-bromo-3-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 171000209
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CID 131283200
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-chloro-6-fluoro-3-(trifluoromethyl)phenol
CID 59010056
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703
2-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]acetic acid
CID 154014577
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-chloro-6-fluoro-3-(trifluoromethyl)aniline
CID 54099645

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid (CID 119006326) is 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1c(F)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is IUIHCZOKKRFQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4O2/c10-8-4(3-7(15)16)6(11)2-1-5(8)9(12,13)14/h1-2H,3H2,(H,15,16).
What are the key properties of 2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid?
2-[2-chloro-6-fluoro-3-(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-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 119006326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).