4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid

C12H7ClF2O3S — CID 165478667

IUPAC4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)c(OC(F)F)c1
InChIInChI=1S/C12H7ClF2O3S/c13-10-4-3-9(19-10)7-2-1-6(11(16)17)5-8(7)18-12(14)15/h1-5,12H,(H,16,17)
InChIKeyHZUZLSLSENZLMU-UHFFFAOYSA-N
MW304.70 g/mol
LogP4.37
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid

4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid (PubChem CID 165478667) has the molecular formula C12H7ClF2O3S and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid
PubChem CID165478667
Molecular FormulaC12H7ClF2O3S
Molecular Weight304.70 g/mol
Exact Mass303.98
IUPAC Name4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)c(OC(F)F)c1
InChIInChI=1S/C12H7ClF2O3S/c13-10-4-3-9(19-10)7-2-1-6(11(16)17)5-8(7)18-12(14)15/h1-5,12H,(H,16,17)
InChIKeyHZUZLSLSENZLMU-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(difluoromethoxy)benzoic acid
CID 165470470
3-(difluoromethoxy)-4-(3-methylphenyl)benzoic acid
CID 164888618
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
4-bromo-3-(difluoromethoxy)benzoic acid;ethane
CID 144822907
4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
CID 82093065
3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid
CID 107957397
3-bromo-4-chloro-5-(difluoromethoxy)benzoic acid
CID 171001530
4-(difluoromethoxy)-3-formylbenzoic acid
CID 126827729
3-chloro-4-[5-(trifluoromethyl)thiophen-2-yl]benzoic acid
CID 167878132
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 43338874
2,5-dichloro-3-(difluoromethoxy)benzoic acid
CID 119002973
4-amino-3-(difluoromethoxy)-5-sulfanylbenzoic acid
CID 142320411

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid (CID 165478667) is 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid is O=C(O)c1ccc(-c2ccc(Cl)s2)c(OC(F)F)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid?
The InChIKey is HZUZLSLSENZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O3S/c13-10-4-3-9(19-10)7-2-1-6(11(16)17)5-8(7)18-12(14)15/h1-5,12H,(H,16,17).
What are the key properties of 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid?
4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid has a molecular weight of 304.70 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid is sourced from PubChem (CID 165478667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).