(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone

C14H15F3O — CID 65407174

IUPAC(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H15F3O/c1-2-8-3-4-9(7-8)14(18)10-5-6-11(15)13(17)12(10)16/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJKTXUNSRVCGXTK-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.11
Rot. Bonds3

About (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone

(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 65407174) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID65407174
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H15F3O/c1-2-8-3-4-9(7-8)14(18)10-5-6-11(15)13(17)12(10)16/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJKTXUNSRVCGXTK-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.11
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

Acetophenone
CID 7410
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Benzoylacetone
CID 7166
p-METHYLACETOPHENONE
CID 8500
Cyclohexyl phenyl ketone
CID 12837
Butyrophenone
CID 10315
Valerophenone
CID 66093
4,4'-Difluorobenzophenone
CID 9582
4-Isopropylacetophenone
CID 12578
Isobutyrophenone
CID 69144
2,2,2-Trifluoroacetophenone
CID 9905

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone (CID 65407174) is (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone is CCC1CCC(C(=O)c2ccc(F)c(F)c2F)C1.
What is the InChIKey of (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is JKTXUNSRVCGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-2-8-3-4-9(7-8)14(18)10-5-6-11(15)13(17)12(10)16/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone?
(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 256.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 65407174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).