1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide

C9H13F5N2O — CID 170587760

IUPAC1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CCN(CC(F)F)CC1
InChIInChI=1S/C9H13F5N2O/c10-6(11)5-16-3-1-8(2-4-16,7(15)17)9(12,13)14/h6H,1-5H2,(H2,15,17)
InChIKeyAKXZWGVSAUZPDQ-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide

1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide (PubChem CID 170587760) has the molecular formula C9H13F5N2O and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
PubChem CID170587760
Molecular FormulaC9H13F5N2O
Molecular Weight260.21 g/mol
Exact Mass260.09
IUPAC Name1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CCN(CC(F)F)CC1
InChIInChI=1S/C9H13F5N2O/c10-6(11)5-16-3-1-8(2-4-16,7(15)17)9(12,13)14/h6H,1-5H2,(H2,15,17)
InChIKeyAKXZWGVSAUZPDQ-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate
CID 175278128
1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
CID 130538433
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
CID 140853686
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropanethioamide
CID 63342755
4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide
CID 177032513
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-4-ol
CID 103366417
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131
3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 159839871
1-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105404636

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide (CID 170587760) is 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide is NC(=O)C1(C(F)(F)F)CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The InChIKey is AKXZWGVSAUZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2O/c10-6(11)5-16-3-1-8(2-4-16,7(15)17)9(12,13)14/h6H,1-5H2,(H2,15,17).
What are the key properties of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide is sourced from PubChem (CID 170587760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).