4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid

C10H7F2NO2S — CID 165455685

IUPAC4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cscc2C(F)F)c[nH]1
InChIInChI=1S/C10H7F2NO2S/c11-9(12)7-4-16-3-6(7)5-1-8(10(14)15)13-2-5/h1-4,9,13H,(H,14,15)
InChIKeyBTLVWCCWHMLAPI-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.38
Rot. Bonds3

About 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid

4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid (PubChem CID 165455685) has the molecular formula C10H7F2NO2S and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid
PubChem CID165455685
Molecular FormulaC10H7F2NO2S
Molecular Weight243.23 g/mol
Exact Mass243.02
IUPAC Name4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cscc2C(F)F)c[nH]1
InChIInChI=1S/C10H7F2NO2S/c11-9(12)7-4-16-3-6(7)5-1-8(10(14)15)13-2-5/h1-4,9,13H,(H,14,15)
InChIKeyBTLVWCCWHMLAPI-UHFFFAOYSA-N
XLogP3.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid (CID 165455685) is 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(-c2cscc2C(F)F)c[nH]1.
What is the InChIKey of 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is BTLVWCCWHMLAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2S/c11-9(12)7-4-16-3-6(7)5-1-8(10(14)15)13-2-5/h1-4,9,13H,(H,14,15).
What are the key properties of 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid?
4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)thiophen-3-yl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165455685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).