5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C7H10F3NO — CID 176944390

IUPAC5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC1(C(F)(F)F)CO2
InChIInChI=1S/C7H10F3NO/c1-11-3-5-2-6(11,4-12-5)7(8,9)10/h5H,2-4H2,1H3
InChIKeySZLRQMNCBGBLEE-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.02
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 176944390) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID176944390
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC1(C(F)(F)F)CO2
InChIInChI=1S/C7H10F3NO/c1-11-3-5-2-6(11,4-12-5)7(8,9)10/h5H,2-4H2,1H3
InChIKeySZLRQMNCBGBLEE-UHFFFAOYSA-N
XLogP1.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 176944390) is 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is CN1CC2CC1(C(F)(F)F)CO2.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is SZLRQMNCBGBLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-3-5-2-6(11,4-12-5)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 181.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 176944390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).