(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone

C13H10F3NO — CID 12648627

IUPAC(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1cccc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-17-7-3-6-11(17)12(18)9-4-2-5-10(8-9)13(14,15)16/h2-8H,1H3
InChIKeyVNYGWIQCPKLKRV-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone

(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 12648627) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID12648627
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1cccc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-17-7-3-6-11(17)12(18)9-4-2-5-10(8-9)13(14,15)16/h2-8H,1H3
InChIKeyVNYGWIQCPKLKRV-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(1-pent-4-enylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 175930578
[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 150901036
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 83703819
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 12648627) is (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone is Cn1cccc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VNYGWIQCPKLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-17-7-3-6-11(17)12(18)9-4-2-5-10(8-9)13(14,15)16/h2-8H,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 253.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 12648627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).