1-(3-fluorocyclobutyl)-3-methylbutan-2-one

C9H15FO — CID 158355329

IUPAC1-(3-fluorocyclobutyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CC(F)C1
InChIInChI=1S/C9H15FO/c1-6(2)9(11)5-7-3-8(10)4-7/h6-8H,3-5H2,1-2H3
InChIKeyQHJKJDOLUWIOLL-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-fluorocyclobutyl)-3-methylbutan-2-one

1-(3-fluorocyclobutyl)-3-methylbutan-2-one (PubChem CID 158355329) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-3-methylbutan-2-one
PubChem CID158355329
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-(3-fluorocyclobutyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CC(F)C1
InChIInChI=1S/C9H15FO/c1-6(2)9(11)5-7-3-8(10)4-7/h6-8H,3-5H2,1-2H3
InChIKeyQHJKJDOLUWIOLL-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
CID 140651310
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclobutyl)-3-methylbutan-2-one?
The IUPAC name of 1-(3-fluorocyclobutyl)-3-methylbutan-2-one (CID 158355329) is 1-(3-fluorocyclobutyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-3-methylbutan-2-one?
The canonical SMILES for 1-(3-fluorocyclobutyl)-3-methylbutan-2-one is CC(C)C(=O)CC1CC(F)C1.
What is the InChIKey of 1-(3-fluorocyclobutyl)-3-methylbutan-2-one?
The InChIKey is QHJKJDOLUWIOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-6(2)9(11)5-7-3-8(10)4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(3-fluorocyclobutyl)-3-methylbutan-2-one?
1-(3-fluorocyclobutyl)-3-methylbutan-2-one has a molecular weight of 158.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-3-methylbutan-2-one is sourced from PubChem (CID 158355329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).