1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole

C11H7F4N — CID 171371245

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
SMILESFc1ccc(-n2cccc2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F4N/c12-8-3-4-10(16-5-1-2-6-16)9(7-8)11(13,14)15/h1-7H
InChIKeyZJJMHMMAPVFVJU-UHFFFAOYSA-N
MW229.18 g/mol
LogP3.64
Rot. Bonds1

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole

1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole (PubChem CID 171371245) has the molecular formula C11H7F4N and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
PubChem CID171371245
Molecular FormulaC11H7F4N
Molecular Weight229.18 g/mol
Exact Mass229.05
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
SMILESFc1ccc(-n2cccc2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F4N/c12-8-3-4-10(16-5-1-2-6-16)9(7-8)11(13,14)15/h1-7H
InChIKeyZJJMHMMAPVFVJU-UHFFFAOYSA-N
XLogP3.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
CID 135053925
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022287
5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 86810891
1-(2-deuterio-4,6-difluorophenyl)pyrrole
CID 175974049
N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 172754814
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 162548357
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole
CID 140910385
2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione
CID 167991541
2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168519994

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole (CID 171371245) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole is Fc1ccc(-n2cccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is ZJJMHMMAPVFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N/c12-8-3-4-10(16-5-1-2-6-16)9(7-8)11(13,14)15/h1-7H.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole?
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 229.18 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 171371245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).