4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one

C7H10F2O2 — CID 67115035

IUPAC4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one
SMILESCC(=O)C(O)C(F)(F)C1CC1
InChIInChI=1S/C7H10F2O2/c1-4(10)6(11)7(8,9)5-2-3-5/h5-6,11H,2-3H2,1H3
InChIKeySQKQNCCUTIQVJZ-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.98
Rot. Bonds3

About 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one

4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one (PubChem CID 67115035) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one
PubChem CID67115035
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one
SMILESCC(=O)C(O)C(F)(F)C1CC1
InChIInChI=1S/C7H10F2O2/c1-4(10)6(11)7(8,9)5-2-3-5/h5-6,11H,2-3H2,1H3
InChIKeySQKQNCCUTIQVJZ-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one?
The IUPAC name of 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one (CID 67115035) is 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one.
What is the SMILES notation for 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one?
The canonical SMILES for 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one is CC(=O)C(O)C(F)(F)C1CC1.
What is the InChIKey of 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one?
The InChIKey is SQKQNCCUTIQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-4(10)6(11)7(8,9)5-2-3-5/h5-6,11H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one?
4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one has a molecular weight of 164.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4,4-difluoro-3-hydroxybutan-2-one is sourced from PubChem (CID 67115035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).