2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone

C6H2Cl4FNO — CID 99986401

IUPAC2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1cc(Cl)c(F)[nH]1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl4FNO/c7-2-1-3(12-5(2)11)4(13)6(8,9)10/h1,12H
InChIKeySJWQQRBSWHFSNR-UHFFFAOYSA-N
MW264.90 g/mol
LogP3.36
Rot. Bonds1

About 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone

2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone (PubChem CID 99986401) has the molecular formula C6H2Cl4FNO and a molecular weight of 264.90 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone
PubChem CID99986401
Molecular FormulaC6H2Cl4FNO
Molecular Weight264.90 g/mol
Exact Mass262.89
IUPAC Name2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1cc(Cl)c(F)[nH]1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl4FNO/c7-2-1-3(12-5(2)11)4(13)6(8,9)10/h1,12H
InChIKeySJWQQRBSWHFSNR-UHFFFAOYSA-N
XLogP3.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-1-(4-chloro-5-nitro-1H-pyrrol-2-yl)ethanone
CID 99986405
2,2,2-trichloro-1-(5-fluoro-1H-pyrrol-2-yl)ethanone
CID 10878976
3-bromo-5-(2,2,2-trichloroacetyl)-1H-pyrrole-2-sulfinic acid
CID 165456015
2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone
CID 67016154
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
CID 139244757
1,3-dibromo-1,1,3,3-tetrachloropropan-2-one
CID 154093040
1-[5-[2-bromo-6-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]pyrimidin-4-yl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone
CID 102142268
2,2,2-trichloro-1-[4-(4-chlorobenzoyl)-1H-pyrrol-2-yl]ethanone
CID 2768553
2,2,2-trichloro-1-[4-(2,3-dichlorobenzoyl)-1H-pyrrol-2-yl]ethanone
CID 4271561
4-chloro-6-fluoro-1H-indole-2-carboxamide
CID 175458349
2-(4,5-dichloro-1H-pyrrol-2-yl)-2-oxoacetic acid
CID 119098713
3,4-dichloro-5-fluorobenzoic acid
CID 50997844

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone (CID 99986401) is 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone is O=C(c1cc(Cl)c(F)[nH]1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone?
The InChIKey is SJWQQRBSWHFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4FNO/c7-2-1-3(12-5(2)11)4(13)6(8,9)10/h1,12H.
What are the key properties of 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone?
2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone has a molecular weight of 264.90 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(4-chloro-5-fluoro-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 99986401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).