3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one

C14H17FO2 — CID 115800224

IUPAC3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
SMILESCOc1cccc(CC(=O)C(C)C2CC2)c1F
InChIInChI=1S/C14H17FO2/c1-9(10-6-7-10)12(16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyRROUYVVPSLERHV-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.99
Rot. Bonds5

About 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one

3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one (PubChem CID 115800224) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
PubChem CID115800224
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
SMILESCOc1cccc(CC(=O)C(C)C2CC2)c1F
InChIInChI=1S/C14H17FO2/c1-9(10-6-7-10)12(16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyRROUYVVPSLERHV-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-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

4-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-one
CID 116612356
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684119
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The IUPAC name of 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one (CID 115800224) is 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one is COc1cccc(CC(=O)C(C)C2CC2)c1F.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The InChIKey is RROUYVVPSLERHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9(10-6-7-10)12(16)8-11-4-3-5-13(17-2)14(11)15/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one is sourced from PubChem (CID 115800224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).