1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one

C10H17F2NO — CID 59665235

IUPAC1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-8(2)7-9(14)13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3
InChIKeyBCQFQHZVEQKWIH-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.29
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one

1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 59665235) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one
PubChem CID59665235
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-8(2)7-9(14)13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3
InChIKeyBCQFQHZVEQKWIH-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one (CID 59665235) is 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is BCQFQHZVEQKWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-8(2)7-9(14)13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one?
1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 205.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 59665235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).