1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one

C17H28F2O2 — CID 158947241

IUPAC1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(F)CC1.CC(C)CC(=O)C1(F)CCC1
InChIInChI=1S/C9H15FO.C8H13FO/c1-7(2)6-8(11)9(10)4-3-5-9;1-6(2)5-7(10)8(9)3-4-8/h7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyJKYYABJKZLQYHE-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.60
Rot. Bonds6

About 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one

1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one (PubChem CID 158947241) has the molecular formula C17H28F2O2 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one
PubChem CID158947241
Molecular FormulaC17H28F2O2
Molecular Weight302.40 g/mol
Exact Mass302.21
IUPAC Name1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(F)CC1.CC(C)CC(=O)C1(F)CCC1
InChIInChI=1S/C9H15FO.C8H13FO/c1-7(2)6-8(11)9(10)4-3-5-9;1-6(2)5-7(10)8(9)3-4-8/h7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyJKYYABJKZLQYHE-UHFFFAOYSA-N
XLogP4.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorocyclohexyl)-3-methylbutan-1-one
CID 130484741
3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79058169
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
1-(3-methylbutanoyl)cyclopropane-1-carbonitrile
CID 116920785
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one
CID 169289970
1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one
CID 159589703
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one?
The IUPAC name of 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one (CID 158947241) is 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one is CC(C)CC(=O)C1(F)CC1.CC(C)CC(=O)C1(F)CCC1.
What is the InChIKey of 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one?
The InChIKey is JKYYABJKZLQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO.C8H13FO/c1-7(2)6-8(11)9(10)4-3-5-9;1-6(2)5-7(10)8(9)3-4-8/h7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one?
1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one has a molecular weight of 302.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one is sourced from PubChem (CID 158947241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).