[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone

C10H7F2NOS — CID 175992466

IUPAC[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1ccc(C(F)F)s1
InChIInChI=1S/C10H7F2NOS/c11-10(12)8-4-3-7(15-8)9(14)6-2-1-5-13-6/h1-5,10,13H
InChIKeyIUCHPNQGOMEEHI-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.24
Rot. Bonds3

About [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone

[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 175992466) has the molecular formula C10H7F2NOS and a molecular weight of 227.24 g/mol. Its IUPAC name is [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID175992466
Molecular FormulaC10H7F2NOS
Molecular Weight227.24 g/mol
Exact Mass227.02
IUPAC Name[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1ccc(C(F)F)s1
InChIInChI=1S/C10H7F2NOS/c11-10(12)8-4-3-7(15-8)9(14)6-2-1-5-13-6/h1-5,10,13H
InChIKeyIUCHPNQGOMEEHI-UHFFFAOYSA-N
XLogP3.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone (CID 175992466) is [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1ccc(C(F)F)s1.
What is the InChIKey of [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is IUCHPNQGOMEEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NOS/c11-10(12)8-4-3-7(15-8)9(14)6-2-1-5-13-6/h1-5,10,13H.
What are the key properties of [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 227.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 175992466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).