1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one

C17H24FNO — CID 19823869

IUPAC1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one
SMILESCCCC(=O)C(N(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H24FNO/c1-4-8-15(20)16(19(2)3)17(11-7-12-17)13-9-5-6-10-14(13)18/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3
InChIKeyWFCYWLLRFFQWEE-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.55
Rot. Bonds6

About 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one

1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one (PubChem CID 19823869) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one
PubChem CID19823869
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one
SMILESCCCC(=O)C(N(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H24FNO/c1-4-8-15(20)16(19(2)3)17(11-7-12-17)13-9-5-6-10-14(13)18/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3
InChIKeyWFCYWLLRFFQWEE-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-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

Methadone
CID 4095
Methadone Hydrochloride
CID 14184
Levomethadone
CID 22267
(+)-Methadone
CID 643985
Levomethadone hydrochloride
CID 22266
4'-Fluoro-alpha-pyrrolidinooctanophenone
CID 121262705
2-(Diethylamino)-1-phenylhexan-1-one
CID 142891637
Esmethadone Hydrochloride
CID 20055402
4'-Fluoro-alpha-pyrrolidinohexiophenone
CID 132989300
4-[Di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide
CID 12612275
4-[Di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide
CID 12612276
4-[Di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(2-fluorophenyl)butanamide
CID 12612280

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one?
The IUPAC name of 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one (CID 19823869) is 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one is CCCC(=O)C(N(C)C)C1(c2ccccc2F)CCC1.
What is the InChIKey of 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one?
The InChIKey is WFCYWLLRFFQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-8-15(20)16(19(2)3)17(11-7-12-17)13-9-5-6-10-14(13)18/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one?
1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one has a molecular weight of 277.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-[1-(2-fluorophenyl)cyclobutyl]pentan-2-one is sourced from PubChem (CID 19823869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).