(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone

C13H10ClF5O — CID 166045484

IUPAC(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1F)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H10ClF5O/c14-10-9(15)4-3-8(11(10)16)12(20)6-1-2-7(5-6)13(17,18)19/h3-4,6-7H,1-2,5H2
InChIKeyYZYCGXKPQOGQSQ-UHFFFAOYSA-N
MW312.67 g/mol
LogP4.78
Rot. Bonds2

About (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone

(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone (PubChem CID 166045484) has the molecular formula C13H10ClF5O and a molecular weight of 312.67 g/mol. Its IUPAC name is (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone
PubChem CID166045484
Molecular FormulaC13H10ClF5O
Molecular Weight312.67 g/mol
Exact Mass312.03
IUPAC Name(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1F)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H10ClF5O/c14-10-9(15)4-3-8(11(10)16)12(20)6-1-2-7(5-6)13(17,18)19/h3-4,6-7H,1-2,5H2
InChIKeyYZYCGXKPQOGQSQ-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Chlorophenyl cyclopentyl ketone
CID 81223
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
CID 67578
3'-Chloropropiophenone
CID 587128
Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
CID 37139
1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
CID 2757931
1-(4-Chlorophenyl)-2,2-difluoroethanone
CID 11424072
1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 53414982
3'-Chloro-4'-fluoroacetophenone
CID 520422
1-(4-Chlorophenyl)-3,3,3-trifluoro-1-propanone
CID 11031469
1-(3-Chlorophenyl)-2-fluoroethan-1-one
CID 23128073
Acetophenone, alpha-(1-chloro-2,2,3,3,4,4-hexafluorocyclobutyl)-
CID 57319
1-(4-Chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 2757834

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone?
The IUPAC name of (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone (CID 166045484) is (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone.
What is the SMILES notation for (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone?
The canonical SMILES for (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone is O=C(c1ccc(F)c(Cl)c1F)C1CCC(C(F)(F)F)C1.
What is the InChIKey of (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone?
The InChIKey is YZYCGXKPQOGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF5O/c14-10-9(15)4-3-8(11(10)16)12(20)6-1-2-7(5-6)13(17,18)19/h3-4,6-7H,1-2,5H2.
What are the key properties of (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone?
(3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone has a molecular weight of 312.67 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-difluorophenyl)-[3-(trifluoromethyl)cyclopentyl]methanone is sourced from PubChem (CID 166045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).