(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone

C13H13F3O2 — CID 113432662

IUPAC(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOC1(C(=O)c2ccc(F)c(F)c2F)CCCC1
InChIInChI=1S/C13H13F3O2/c1-18-13(6-2-3-7-13)12(17)8-4-5-9(14)11(16)10(8)15/h4-5H,2-3,6-7H2,1H3
InChIKeyFMYNOLNHSPGVEX-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.25
Rot. Bonds3

About (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone

(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 113432662) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID113432662
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOC1(C(=O)c2ccc(F)c(F)c2F)CCCC1
InChIInChI=1S/C13H13F3O2/c1-18-13(6-2-3-7-13)12(17)8-4-5-9(14)11(16)10(8)15/h4-5H,2-3,6-7H2,1H3
InChIKeyFMYNOLNHSPGVEX-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxycycloheptyl)methanone
CID 106761933
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
CID 104610131
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone
CID 104610162
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(1-methoxycycloheptyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707746

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone (CID 113432662) is (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone is COC1(C(=O)c2ccc(F)c(F)c2F)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is FMYNOLNHSPGVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-18-13(6-2-3-7-13)12(17)8-4-5-9(14)11(16)10(8)15/h4-5H,2-3,6-7H2,1H3.
What are the key properties of (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone?
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 258.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 113432662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).