1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole

C11H7ClF3N — CID 4715179

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
SMILESFC(F)(F)c1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C11H7ClF3N/c12-10-4-3-8(16-5-1-2-6-16)7-9(10)11(13,14)15/h1-7H
InChIKeyQEYGWTNMONJLST-UHFFFAOYSA-N
MW245.63 g/mol
LogP4.15
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole

1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole (PubChem CID 4715179) has the molecular formula C11H7ClF3N and a molecular weight of 245.63 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
PubChem CID4715179
Molecular FormulaC11H7ClF3N
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
SMILESFC(F)(F)c1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C11H7ClF3N/c12-10-4-3-8(16-5-1-2-6-16)7-9(10)11(13,14)15/h1-7H
InChIKeyQEYGWTNMONJLST-UHFFFAOYSA-N
XLogP4.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 126243563
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
CID 162603813
CID 162603813
1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 55029975
(3aR,7aR)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005425
(3aR,7aS)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005426
4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonitrile
CID 71417524
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine-2-carbonitrile
CID 117009858
(15S,19R)-1,8-dibromo-17-[4-chloro-3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98104208
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3508914
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
CID 82227993

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole (CID 4715179) is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole is FC(F)(F)c1cc(-n2cccc2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is QEYGWTNMONJLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N/c12-10-4-3-8(16-5-1-2-6-16)7-9(10)11(13,14)15/h1-7H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole?
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 245.63 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 4715179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).