2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one

C13H20F5NO — CID 126750356

IUPAC2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(C(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H20F5NO/c1-12(2,3)11(20)19-6-4-8(5-7-19)9(10(14)15)13(16,17)18/h8-10H,4-7H2,1-3H3
InChIKeyFZVVQPNRLAQLEJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.71
Rot. Bonds2

About 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 126750356) has the molecular formula C13H20F5NO and a molecular weight of 301.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one
PubChem CID126750356
Molecular FormulaC13H20F5NO
Molecular Weight301.30 g/mol
Exact Mass301.15
IUPAC Name2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(C(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H20F5NO/c1-12(2,3)11(20)19-6-4-8(5-7-19)9(10(14)15)13(16,17)18/h8-10H,4-7H2,1-3H3
InChIKeyFZVVQPNRLAQLEJ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
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
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
2,2,2-trifluoro-1-[(3S,5R)-3-fluoro-5-methylpiperidin-1-yl]ethanone
CID 177853588
1-[3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperidine
CID 4668324
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one (CID 126750356) is 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(C(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is FZVVQPNRLAQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F5NO/c1-12(2,3)11(20)19-6-4-8(5-7-19)9(10(14)15)13(16,17)18/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 301.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).