1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone

C12H8F3NO — CID 10752477

IUPAC1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,16H
InChIKeyHKDFHEKHXMTWJJ-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.26
Rot. Bonds2

About 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone

1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 10752477) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID10752477
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,16H
InChIKeyHKDFHEKHXMTWJJ-UHFFFAOYSA-N
XLogP3.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone (CID 10752477) is 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HKDFHEKHXMTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,16H.
What are the key properties of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 239.20 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 10752477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).