5-chloro-2-(difluoromethyl)furan-3-carboxylic acid

C6H3ClF2O3 — CID 75529966

IUPAC5-chloro-2-(difluoromethyl)furan-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)oc1C(F)F
InChIInChI=1S/C6H3ClF2O3/c7-3-1-2(6(10)11)4(12-3)5(8)9/h1,5H,(H,10,11)
InChIKeyXQAXEERGQRBTLN-UHFFFAOYSA-N
MW196.54 g/mol
LogP2.57
Rot. Bonds2

About 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid

5-chloro-2-(difluoromethyl)furan-3-carboxylic acid (PubChem CID 75529966) has the molecular formula C6H3ClF2O3 and a molecular weight of 196.54 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)furan-3-carboxylic acid
PubChem CID75529966
Molecular FormulaC6H3ClF2O3
Molecular Weight196.54 g/mol
Exact Mass195.97
IUPAC Name5-chloro-2-(difluoromethyl)furan-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)oc1C(F)F
InChIInChI=1S/C6H3ClF2O3/c7-3-1-2(6(10)11)4(12-3)5(8)9/h1,5H,(H,10,11)
InChIKeyXQAXEERGQRBTLN-UHFFFAOYSA-N
XLogP2.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid (CID 75529966) is 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid is O=C(O)c1cc(Cl)oc1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid?
The InChIKey is XQAXEERGQRBTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2O3/c7-3-1-2(6(10)11)4(12-3)5(8)9/h1,5H,(H,10,11).
What are the key properties of 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid?
5-chloro-2-(difluoromethyl)furan-3-carboxylic acid has a molecular weight of 196.54 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)furan-3-carboxylic acid is sourced from PubChem (CID 75529966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).