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

C12H7F4NO — CID 155664495

IUPAC[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H7F4NO/c13-10-5-8(12(14,15)16)1-2-9(10)11(18)7-3-4-17-6-7/h1-6,17H
InChIKeyFIISQZFRAIEZFY-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.40
Rot. Bonds2

About [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone

[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone (PubChem CID 155664495) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone
PubChem CID155664495
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H7F4NO/c13-10-5-8(12(14,15)16)1-2-9(10)11(18)7-3-4-17-6-7/h1-6,17H
InChIKeyFIISQZFRAIEZFY-UHFFFAOYSA-N
XLogP3.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63749439
(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63750336
2-fluoro-3-[2-fluoro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile
CID 142428684
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534
2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide
CID 175946440
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone (CID 155664495) is [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is FIISQZFRAIEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-10-5-8(12(14,15)16)1-2-9(10)11(18)7-3-4-17-6-7/h1-6,17H.
What are the key properties of [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone?
[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 257.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 155664495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).