1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone

C7H8F5NO — CID 134827913

IUPAC1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC(F)CC(F)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-4-1-5(9)3-13(2-4)6(14)7(10,11)12/h4-5H,1-3H2
InChIKeyZATBXOPLBDWVRR-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.46
Rot. Bonds

About 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 134827913) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID134827913
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC(F)CC(F)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-4-1-5(9)3-13(2-4)6(14)7(10,11)12/h4-5H,1-3H2
InChIKeyZATBXOPLBDWVRR-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
1-Trifluoroacetyl piperidine
CID 5181830
1-(Trifluoroacetyl)piperidin-4-one
CID 15080943
2-Bromo-2,2-difluoro-1-piperidino-1-ethanone
CID 3695244
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone (CID 134827913) is 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CC(F)CC(F)C1)C(F)(F)F.
What is the InChIKey of 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is ZATBXOPLBDWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-4-1-5(9)3-13(2-4)6(14)7(10,11)12/h4-5H,1-3H2.
What are the key properties of 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 217.14 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 134827913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).