1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone

C8H10F5NO — CID 134827912

IUPAC1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC1C(F)CN(C(=O)C(F)(F)F)CC1F
InChIInChI=1S/C8H10F5NO/c1-4-5(9)2-14(3-6(4)10)7(15)8(11,12)13/h4-6H,2-3H2,1H3
InChIKeyOVBKUMMPHSFPQT-UHFFFAOYSA-N
MW231.16 g/mol
LogP1.70
Rot. Bonds

About 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 134827912) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID134827912
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC Name1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC1C(F)CN(C(=O)C(F)(F)F)CC1F
InChIInChI=1S/C8H10F5NO/c1-4-5(9)2-14(3-6(4)10)7(15)8(11,12)13/h4-6H,2-3H2,1H3
InChIKeyOVBKUMMPHSFPQT-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 134827912) is 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone is CC1C(F)CN(C(=O)C(F)(F)F)CC1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is OVBKUMMPHSFPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-4-5(9)2-14(3-6(4)10)7(15)8(11,12)13/h4-6H,2-3H2,1H3.
What are the key properties of 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 231.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 134827912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).