N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide

C9H12F6N2O — CID 2836448

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)16-7(18)17-4-2-1-3-5-17/h6H,1-5H2,(H,16,18)
InChIKeyAFAWTPQMGDCXJQ-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.68
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide (PubChem CID 2836448) has the molecular formula C9H12F6N2O and a molecular weight of 278.20 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
PubChem CID2836448
Molecular FormulaC9H12F6N2O
Molecular Weight278.20 g/mol
Exact Mass278.09
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)16-7(18)17-4-2-1-3-5-17/h6H,1-5H2,(H,16,18)
InChIKeyAFAWTPQMGDCXJQ-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperidinecarboxamide
CID 935326
1-Cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 790159
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)piperidine-1-carboxamide
CID 3473547
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
3,3-Difluoropiperidine-1-carboxamide
CID 89026210
N-(trifluoromethyl)piperidine-1-carboxamide
CID 108865905
2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115584040

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide (CID 2836448) is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide is O=C(NC(C(F)(F)F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide?
The InChIKey is AFAWTPQMGDCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)16-7(18)17-4-2-1-3-5-17/h6H,1-5H2,(H,16,18).
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 2836448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).