6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid

C8H3ClF4O3 — CID 10171499

IUPAC6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3ClF4O3/c9-3-1-2-4(16-8(11,12)13)6(10)5(3)7(14)15/h1-2H,(H,14,15)
InChIKeyYDZVHUWUYZGSOQ-UHFFFAOYSA-N
MW258.55 g/mol
LogP3.08
Rot. Bonds2

About 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid

6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid (PubChem CID 10171499) has the molecular formula C8H3ClF4O3 and a molecular weight of 258.55 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid
PubChem CID10171499
Molecular FormulaC8H3ClF4O3
Molecular Weight258.55 g/mol
Exact Mass257.97
IUPAC Name6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3ClF4O3/c9-3-1-2-4(16-8(11,12)13)6(10)5(3)7(14)15/h1-2H,(H,14,15)
InChIKeyYDZVHUWUYZGSOQ-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)-2-(trihydroxymethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 142516877
2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 137406797
2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 137406800
2-amino-6-fluoro-3-(trifluoromethoxy)benzoic acid
CID 119018842
(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 118482126
3-(difluoromethyl)-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 170201859
2-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 130092242
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
2-(aminomethyl)-6-chloro-3-(trifluoromethoxy)aniline
CID 119001366
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
4-chloro-2-fluoro-6-[[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]methyl]benzoic acid
CID 175011957
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid?
The IUPAC name of 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid (CID 10171499) is 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid is O=C(O)c1c(Cl)ccc(OC(F)(F)F)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid?
The InChIKey is YDZVHUWUYZGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O3/c9-3-1-2-4(16-8(11,12)13)6(10)5(3)7(14)15/h1-2H,(H,14,15).
What are the key properties of 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid?
6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid has a molecular weight of 258.55 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 10171499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).