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

C58H72F4O4 — CID 167684249

IUPAC1-[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
SMILESCC(C)C(=O)C1(c2ccc(F)cc2)CC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C16H21FO.C15H19FO.C14H17FO.C13H15FO/c1-12(2)15(18)16(10-4-3-5-11-16)13-6-8-14(17)9-7-13;1-11(2)14(17)15(9-3-4-10-15)12-5-7-13(16)8-6-12;1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11;1-9(2)12(15)13(7-8-13)10-3-5-11(14)6-4-10/h6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3
InChIKeyVZIAMUVFWLSLCY-UHFFFAOYSA-N
MW909.20 g/mol
LogP14.67
Rot. Bonds12

About 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

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 (PubChem CID 167684249) has the molecular formula C58H72F4O4 and a molecular weight of 909.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID167684249
Molecular FormulaC58H72F4O4
Molecular Weight909.20 g/mol
Exact Mass908.54
IUPAC Name1-[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
SMILESCC(C)C(=O)C1(c2ccc(F)cc2)CC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C16H21FO.C15H19FO.C14H17FO.C13H15FO/c1-12(2)15(18)16(10-4-3-5-11-16)13-6-8-14(17)9-7-13;1-11(2)14(17)15(9-3-4-10-15)12-5-7-13(16)8-6-12;1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11;1-9(2)12(15)13(7-8-13)10-3-5-11(14)6-4-10/h6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3
InChIKeyVZIAMUVFWLSLCY-UHFFFAOYSA-N
XLogP14.67
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.20
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574581
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866380
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)C1(c2ccc(F)cc2)CC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCC1.CC(C)C(=O)C1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 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?
The InChIKey is VZIAMUVFWLSLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO.C15H19FO.C14H17FO.C13H15FO/c1-12(2)15(18)16(10-4-3-5-11-16)13-6-8-14(17)9-7-13;1-11(2)14(17)15(9-3-4-10-15)12-5-7-13(16)8-6-12;1-10(2)13(16)14(8-3-9-14)11-4-6-12(15)7-5-11;1-9(2)12(15)13(7-8-13)10-3-5-11(14)6-4-10/h6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 909.20 g/mol, XLogP of 14.67, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167684249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).