N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide

C8H10F3NO2 — CID 177138924

IUPACN-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide
SMILESO=CNC12CCC(C(F)(F)F)(C1)OC2
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7-2-1-6(3-7,4-14-7)12-5-13/h5H,1-4H2,(H,12,13)
InChIKeyZWBZTWATRVJYSE-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.99
Rot. Bonds2

About N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide

N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide (PubChem CID 177138924) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide
PubChem CID177138924
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC NameN-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide
SMILESO=CNC12CCC(C(F)(F)F)(C1)OC2
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7-2-1-6(3-7,4-14-7)12-5-13/h5H,1-4H2,(H,12,13)
InChIKeyZWBZTWATRVJYSE-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.99
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-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide?
The IUPAC name of N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide (CID 177138924) is N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide.
What is the SMILES notation for N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide?
The canonical SMILES for N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide is O=CNC12CCC(C(F)(F)F)(C1)OC2.
What is the InChIKey of N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide?
The InChIKey is ZWBZTWATRVJYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7-2-1-6(3-7,4-14-7)12-5-13/h5H,1-4H2,(H,12,13).
What are the key properties of N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide?
N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide has a molecular weight of 209.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide is sourced from PubChem (CID 177138924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).