4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide

C10H14F6N2O — CID 82811943

IUPAC4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)4-3-8(19)18-6-1-2-7(17-5-6)10(14,15)16/h6-7,17H,1-5H2,(H,18,19)
InChIKeyKCYZPJREVOTHIQ-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.13
Rot. Bonds3

About 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide

4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide (PubChem CID 82811943) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
PubChem CID82811943
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)4-3-8(19)18-6-1-2-7(17-5-6)10(14,15)16/h6-7,17H,1-5H2,(H,18,19)
InChIKeyKCYZPJREVOTHIQ-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
CID 82811806
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82810862
2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 113374757
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82816995
2-[(3S,6S)-6-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458470
N,N'-dicyclopropylbutanediamide
CID 5225156
1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
CID 116555202
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
N-pyrrolidin-3-ylpent-4-ynamide
CID 103840756

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide (CID 82811943) is 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide is O=C(CCC(F)(F)F)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The InChIKey is KCYZPJREVOTHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)4-3-8(19)18-6-1-2-7(17-5-6)10(14,15)16/h6-7,17H,1-5H2,(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide has a molecular weight of 292.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 82811943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).