1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one

C10H17F2NO — CID 79537256

IUPAC1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC(F)F
InChIInChI=1S/C10H17F2NO/c1-8(14)6-9-4-2-3-5-13(9)7-10(11)12/h9-10H,2-7H2,1H3
InChIKeyIGEGDJHZUYWFDS-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.09
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one

1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one (PubChem CID 79537256) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one
PubChem CID79537256
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC(F)F
InChIInChI=1S/C10H17F2NO/c1-8(14)6-9-4-2-3-5-13(9)7-10(11)12/h9-10H,2-7H2,1H3
InChIKeyIGEGDJHZUYWFDS-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one (CID 79537256) is 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC(F)F.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one?
The InChIKey is IGEGDJHZUYWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-8(14)6-9-4-2-3-5-13(9)7-10(11)12/h9-10H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one?
1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one has a molecular weight of 205.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79537256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).