2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O2 — CID 134639153

IUPAC2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)ccc(C(F)(F)F)c1O
InChIInChI=1S/C9H3ClF6O2/c10-7(18)5-3(8(11,12)13)1-2-4(6(5)17)9(14,15)16/h1-2,17H
InChIKeyAZDPQZAWJDMFNU-UHFFFAOYSA-N
MW292.56 g/mol
LogP3.81
Rot. Bonds1

About 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride

2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride (PubChem CID 134639153) has the molecular formula C9H3ClF6O2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
PubChem CID134639153
Molecular FormulaC9H3ClF6O2
Molecular Weight292.56 g/mol
Exact Mass291.97
IUPAC Name2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)ccc(C(F)(F)F)c1O
InChIInChI=1S/C9H3ClF6O2/c10-7(18)5-3(8(11,12)13)1-2-4(6(5)17)9(14,15)16/h1-2,17H
InChIKeyAZDPQZAWJDMFNU-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-6-(trifluoromethyl)benzoyl chloride
CID 134624095
6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride
CID 118849301
1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
CID 171027226
6-bromo-2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 171002482
4-bromo-2,6-bis(trifluoromethyl)benzoyl chloride
CID 134618372
6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
2,6-bis(trifluoromethyl)benzoate
CID 6927052
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
3-bromo-2,6-bis(trifluoromethyl)phenol
CID 118997062
2,6-bis(trifluoromethyl)benzoate;copper(1+)
CID 118193497
3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
CID 58736589
3-hydroxy-2,6-bis(trifluoromethyl)benzamide
CID 118997009

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride (CID 134639153) is 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride is O=C(Cl)c1c(C(F)(F)F)ccc(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride?
The InChIKey is AZDPQZAWJDMFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF6O2/c10-7(18)5-3(8(11,12)13)1-2-4(6(5)17)9(14,15)16/h1-2,17H.
What are the key properties of 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride?
2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride has a molecular weight of 292.56 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 134639153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).