N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide

C8H13F3N2O — CID 126606046

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide
SMILESO=CNC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-7(4-13)12-6-14/h6-7H,1-5H2,(H,12,14)
InChIKeyLOLFURNZTCKFSC-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide (PubChem CID 126606046) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide
PubChem CID126606046
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide
SMILESO=CNC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-7(4-13)12-6-14/h6-7H,1-5H2,(H,12,14)
InChIKeyLOLFURNZTCKFSC-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide (CID 126606046) is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide is O=CNC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide?
The InChIKey is LOLFURNZTCKFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-7(4-13)12-6-14/h6-7H,1-5H2,(H,12,14).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide has a molecular weight of 210.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide is sourced from PubChem (CID 126606046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).