1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one

C25H37F4NO — CID 153345825

IUPAC1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one
SMILESCC/C(C)=N/c1cc(F)ccc1C.CC1(C)CCC1.CCC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14FN.C8H11F3O.C6H12/c1-4-9(3)13-11-7-10(12)6-5-8(11)2;1-2-6(12)5-7(3-4-7)8(9,10)11;1-6(2)4-3-5-6/h5-7H,4H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3/b13-9+;;
InChIKeyOXZBRWIMPQLDQK-IGUOPLJTSA-N
MW443.57 g/mol
LogP8.53
Rot. Bonds5

About 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one

1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one (PubChem CID 153345825) has the molecular formula C25H37F4NO and a molecular weight of 443.57 g/mol. Its IUPAC name is 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one.

Molecular Properties

Compound Name1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one
PubChem CID153345825
Molecular FormulaC25H37F4NO
Molecular Weight443.57 g/mol
Exact Mass443.28
IUPAC Name1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one
SMILESCC/C(C)=N/c1cc(F)ccc1C.CC1(C)CCC1.CCC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14FN.C8H11F3O.C6H12/c1-4-9(3)13-11-7-10(12)6-5-8(11)2;1-2-6(12)5-7(3-4-7)8(9,10)11;1-6(2)4-3-5-6/h5-7H,4H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3/b13-9+;;
InChIKeyOXZBRWIMPQLDQK-IGUOPLJTSA-N
XLogP8.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol;1-(2,2,3,3-tetrafluorocyclobutyl)butan-2-one
CID 153346131
5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
CID 153345639
1-(1-hydroxycyclobutyl)butan-2-one;methylcyclobutane;N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pentan-2-imine
CID 153345732
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one?
The IUPAC name of 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one (CID 153345825) is 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one.
What is the SMILES notation for 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one?
The canonical SMILES for 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one is CC/C(C)=N/c1cc(F)ccc1C.CC1(C)CCC1.CCC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one?
The InChIKey is OXZBRWIMPQLDQK-IGUOPLJTSA-N. The full InChI is InChI=1S/C11H14FN.C8H11F3O.C6H12/c1-4-9(3)13-11-7-10(12)6-5-8(11)2;1-2-6(12)5-7(3-4-7)8(9,10)11;1-6(2)4-3-5-6/h5-7H,4H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3/b13-9+;;.
What are the key properties of 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one?
1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one has a molecular weight of 443.57 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one is sourced from PubChem (CID 153345825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).