1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one

C16H21FO2 — CID 61071400

IUPAC1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COC1CCCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H21FO2/c17-16-10-6-5-7-13(16)11-14(18)12-19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2
InChIKeyUSFDVMJFVMZRGV-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.68
Rot. Bonds5

About 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one

1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one (PubChem CID 61071400) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
PubChem CID61071400
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COC1CCCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H21FO2/c17-16-10-6-5-7-13(16)11-14(18)12-19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2
InChIKeyUSFDVMJFVMZRGV-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyloxy-3-(2-fluorophenyl)propan-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-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
2-cyclohexyloxy-N-(2-hydroxyphenyl)acetamide
CID 47246242
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82749677

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one (CID 61071400) is 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one is O=C(COC1CCCCCC1)Cc1ccccc1F.
What is the InChIKey of 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one?
The InChIKey is USFDVMJFVMZRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c17-16-10-6-5-7-13(16)11-14(18)12-19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2.
What are the key properties of 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one?
1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one has a molecular weight of 264.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 61071400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).