8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine

C13H20F3NO — CID 106209926

IUPAC8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NC2(C(F)(F)F)CC2)C2CCCOC21
InChIInChI=1S/C13H20F3NO/c1-11(2)9(8-4-3-7-18-10(8)11)17-12(5-6-12)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyAHOLNDSTPJNMMF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.87
Rot. Bonds2

About 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 106209926) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID106209926
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NC2(C(F)(F)F)CC2)C2CCCOC21
InChIInChI=1S/C13H20F3NO/c1-11(2)9(8-4-3-7-18-10(8)11)17-12(5-6-12)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyAHOLNDSTPJNMMF-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 106209926) is 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NC2(C(F)(F)F)CC2)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is AHOLNDSTPJNMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-11(2)9(8-4-3-7-18-10(8)11)17-12(5-6-12)13(14,15)16/h8-10,17H,3-7H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 263.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 106209926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).