7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

C10H16F3NO — CID 64872029

IUPAC7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC(F)(F)F)C2CCOC21
InChIInChI=1S/C10H16F3NO/c1-9(2)7(14-5-10(11,12)13)6-3-4-15-8(6)9/h6-8,14H,3-5H2,1-2H3
InChIKeyGICZJAQPSSACTO-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.95
Rot. Bonds2

About 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64872029) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64872029
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC(F)(F)F)C2CCOC21
InChIInChI=1S/C10H16F3NO/c1-9(2)7(14-5-10(11,12)13)6-3-4-15-8(6)9/h6-8,14H,3-5H2,1-2H3
InChIKeyGICZJAQPSSACTO-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64872029) is 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC(F)(F)F)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GICZJAQPSSACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(2)7(14-5-10(11,12)13)6-3-4-15-8(6)9/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 223.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64872029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).