3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one

C13H14ClFO2 — CID 102617821

IUPAC3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C13H14ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyOMCOVKIEIVVYML-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.02
Rot. Bonds5

About 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one

3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one (PubChem CID 102617821) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
PubChem CID102617821
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C13H14ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyOMCOVKIEIVVYML-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one 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-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
3-(azetidin-3-yl)-1-(2-chloro-5-fluorophenyl)butan-2-one
CID 102622242
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
CID 116708959
2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
CID 102617817
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
3-(2,5-difluorophenyl)-1,1-dimethoxypropan-2-one
CID 79493020

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one (CID 102617821) is 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one is COC(C(=O)Cc1cc(F)ccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one?
The InChIKey is OMCOVKIEIVVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one?
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one has a molecular weight of 256.70 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one is sourced from PubChem (CID 102617821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).