(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone

C11H10ClF2NO — CID 875976

IUPAC(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCCC1
InChIInChI=1S/C11H10ClF2NO/c12-8-6-10(14)9(13)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyNNOOQKRRKQQTBZ-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.85
Rot. Bonds1

About (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone

(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 875976) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID875976
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCCC1
InChIInChI=1S/C11H10ClF2NO/c12-8-6-10(14)9(13)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyNNOOQKRRKQQTBZ-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone (CID 875976) is (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(F)c(F)cc1Cl)N1CCCC1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is NNOOQKRRKQQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-8-6-10(14)9(13)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 245.66 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 875976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).