3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one

C11H16F2O2 — CID 58564853

IUPAC3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one
SMILESCC1(C(O)C(=O)CC2CC2)CC(F)(F)C1
InChIInChI=1S/C11H16F2O2/c1-10(5-11(12,13)6-10)9(15)8(14)4-7-2-3-7/h7,9,15H,2-6H2,1H3
InChIKeyASSFDVKAAJDJFX-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.15
Rot. Bonds4

About 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one

3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one (PubChem CID 58564853) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one
PubChem CID58564853
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one
SMILESCC1(C(O)C(=O)CC2CC2)CC(F)(F)C1
InChIInChI=1S/C11H16F2O2/c1-10(5-11(12,13)6-10)9(15)8(14)4-7-2-3-7/h7,9,15H,2-6H2,1H3
InChIKeyASSFDVKAAJDJFX-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
3-cyclopropyl-1,1-difluoropropan-2-one
CID 112699143
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1,1-dibromo-3-cyclopropylpropan-2-one
CID 91443105
3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
CID 116574051
3-(4-aminophenyl)-1-cyclopropylbutan-2-one
CID 21294076
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one?
The IUPAC name of 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one (CID 58564853) is 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one.
What is the SMILES notation for 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one?
The canonical SMILES for 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one is CC1(C(O)C(=O)CC2CC2)CC(F)(F)C1.
What is the InChIKey of 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one?
The InChIKey is ASSFDVKAAJDJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-10(5-11(12,13)6-10)9(15)8(14)4-7-2-3-7/h7,9,15H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one?
3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one has a molecular weight of 218.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one is sourced from PubChem (CID 58564853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).