(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone

C11H7ClFNO — CID 63749439

IUPAC(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-5-8(13)1-2-9(10)11(15)7-3-4-14-6-7/h1-6,14H
InChIKeyDCXZYJBCGLKGNA-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.04
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone

(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 63749439) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID63749439
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-5-8(13)1-2-9(10)11(15)7-3-4-14-6-7/h1-6,14H
InChIKeyDCXZYJBCGLKGNA-UHFFFAOYSA-N
XLogP3.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
CID 175785307
(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 11065021
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone
CID 155664495
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone (CID 63749439) is (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is DCXZYJBCGLKGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-10-5-8(13)1-2-9(10)11(15)7-3-4-14-6-7/h1-6,14H.
What are the key properties of (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 223.63 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 63749439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).