5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C9H12F3NO — CID 176944363

IUPAC5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C(C)N1CC2(C(F)(F)F)CC1CO2
InChIInChI=1S/C9H12F3NO/c1-6(2)13-5-8(9(10,11)12)3-7(13)4-14-8/h7H,1,3-5H2,2H3
InChIKeyIGGKSSMAJZZXJL-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.93
Rot. Bonds1

About 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 176944363) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID176944363
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C(C)N1CC2(C(F)(F)F)CC1CO2
InChIInChI=1S/C9H12F3NO/c1-6(2)13-5-8(9(10,11)12)3-7(13)4-14-8/h7H,1,3-5H2,2H3
InChIKeyIGGKSSMAJZZXJL-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 176944363) is 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is C=C(C)N1CC2(C(F)(F)F)CC1CO2.
What is the InChIKey of 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is IGGKSSMAJZZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(2)13-5-8(9(10,11)12)3-7(13)4-14-8/h7H,1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 207.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 176944363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).