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

C11H7ClFNO — CID 82874621

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

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

(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 82874621) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID82874621
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc[nH]1
InChIInChI=1S/C11H7ClFNO/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h1-6,14H
InChIKeySNMKSWWVRBLDJF-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

(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82786984
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
4-(1H-pyrrole-2-carbonyl)benzoic acid
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(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130528741
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
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(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone (CID 82874621) is (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc(F)c(Cl)c1)c1ccc[nH]1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is SNMKSWWVRBLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h1-6,14H.
What are the key properties of (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-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 (3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 82874621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).