N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C10H13F7N2O — CID 106293083

IUPACN-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H13F7N2O/c11-8(12)9(13,14)4-19-7(20)6-2-1-5(3-18-6)10(15,16)17/h5-6,8,18H,1-4H2,(H,19,20)
InChIKeyCNBODCPMJDSMCM-UHFFFAOYSA-N
MW310.21 g/mol
LogP1.93
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 106293083) has the molecular formula C10H13F7N2O and a molecular weight of 310.21 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID106293083
Molecular FormulaC10H13F7N2O
Molecular Weight310.21 g/mol
Exact Mass310.09
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H13F7N2O/c11-8(12)9(13,14)4-19-7(20)6-2-1-5(3-18-6)10(15,16)17/h5-6,8,18H,1-4H2,(H,19,20)
InChIKeyCNBODCPMJDSMCM-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908525
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 107413534
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908570
N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908529
N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908559
N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908554
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908717
N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908961
N-(1-cyclohexylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908814

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 106293083) is N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NCC(F)(F)C(F)F)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is CNBODCPMJDSMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7N2O/c11-8(12)9(13,14)4-19-7(20)6-2-1-5(3-18-6)10(15,16)17/h5-6,8,18H,1-4H2,(H,19,20).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 310.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 106293083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).