1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one

C14H17FO — CID 164836434

IUPAC1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H17FO/c1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyVJXNZALMBQAHRN-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one

1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one (PubChem CID 164836434) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
PubChem CID164836434
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H17FO/c1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyVJXNZALMBQAHRN-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclohexyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopentyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopropyl]-2-methylpropan-1-one
CID 167684249
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574581
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one (CID 164836434) is 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one is CC(C)C(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one?
The InChIKey is VJXNZALMBQAHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one?
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one has a molecular weight of 220.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one is sourced from PubChem (CID 164836434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).