1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone

C7H8F5NO — CID 45081156

IUPAC1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(F)(F)CC1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9)1-3-13(4-2-6)5(14)7(10,11)12/h1-4H2
InChIKeySYVLUZZLJFWFFW-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.81
Rot. Bonds

About 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 45081156) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID45081156
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(F)(F)CC1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9)1-3-13(4-2-6)5(14)7(10,11)12/h1-4H2
InChIKeySYVLUZZLJFWFFW-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone (CID 45081156) is 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCC(F)(F)CC1)C(F)(F)F.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is SYVLUZZLJFWFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-6(9)1-3-13(4-2-6)5(14)7(10,11)12/h1-4H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 217.14 g/mol, XLogP of 1.81, 0 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)-2,2,2-trifluoroethanone is sourced from PubChem (CID 45081156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).