(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone

C14H13Cl2F2NO — CID 59744818

IUPAC(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1(CC=C(F)F)CCCN1
InChIInChI=1S/C14H13Cl2F2NO/c15-10-3-2-9(8-11(10)16)13(20)14(5-1-7-19-14)6-4-12(17)18/h2-4,8,19H,1,5-7H2
InChIKeyLKKYXGCPJNZTFX-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.47
Rot. Bonds4

About (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone

(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone (PubChem CID 59744818) has the molecular formula C14H13Cl2F2NO and a molecular weight of 320.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone
PubChem CID59744818
Molecular FormulaC14H13Cl2F2NO
Molecular Weight320.17 g/mol
Exact Mass319.03
IUPAC Name(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1(CC=C(F)F)CCCN1
InChIInChI=1S/C14H13Cl2F2NO/c15-10-3-2-9(8-11(10)16)13(20)14(5-1-7-19-14)6-4-12(17)18/h2-4,8,19H,1,5-7H2
InChIKeyLKKYXGCPJNZTFX-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62884
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CID 44542809
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one
CID 44543273
1-(3,4-Dichlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
CID 45487890
(3,4-Dichlorophenyl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone
CID 46934585
(3,4-Dichlorophenyl)(2-propylpyrrolidin-2-yl)methanone
CID 49865822
1-(3,4-Dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11150726
1-(3,4-Dichlorophenyl)-2-pyrrolidin-1-yl-butan-1-one
CID 11231488
1-(3,4-Dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-ene-1-one
CID 11335494
2-Butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-one
CID 11609767
(S)-(3,4-dichlorophenyl)(2-propylpyrrolidin-2-yl)methanone
CID 49865823

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone (CID 59744818) is (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)C1(CC=C(F)F)CCCN1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone?
The InChIKey is LKKYXGCPJNZTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2NO/c15-10-3-2-9(8-11(10)16)13(20)14(5-1-7-19-14)6-4-12(17)18/h2-4,8,19H,1,5-7H2.
What are the key properties of (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone?
(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone has a molecular weight of 320.17 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 59744818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).