3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one

C10H13F6NO — CID 4668324

IUPAC3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-8(9(11,12)13,10(14,15)16)7(18)17-5-3-2-4-6-17/h2-6H2,1H3
InChIKeySYZUSGZXGMNHER-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.13
Rot. Bonds1

About 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one (PubChem CID 4668324) has the molecular formula C10H13F6NO and a molecular weight of 277.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one
PubChem CID4668324
Molecular FormulaC10H13F6NO
Molecular Weight277.21 g/mol
Exact Mass277.09
IUPAC Name3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-8(9(11,12)13,10(14,15)16)7(18)17-5-3-2-4-6-17/h2-6H2,1H3
InChIKeySYZUSGZXGMNHER-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one (CID 4668324) is 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one is CC(C(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one?
The InChIKey is SYZUSGZXGMNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO/c1-8(9(11,12)13,10(14,15)16)7(18)17-5-3-2-4-6-17/h2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one has a molecular weight of 277.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 4668324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).