7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C12H18F3NO — CID 106210420

IUPAC7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2(C(F)(F)F)CC2)C2CCOC21
InChIInChI=1S/C12H18F3NO/c1-10(2)8(7-3-6-17-9(7)10)16-11(4-5-11)12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyBYULFBUPNQSNFI-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.48
Rot. Bonds2

About 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 106210420) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID106210420
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2(C(F)(F)F)CC2)C2CCOC21
InChIInChI=1S/C12H18F3NO/c1-10(2)8(7-3-6-17-9(7)10)16-11(4-5-11)12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyBYULFBUPNQSNFI-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.48
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-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 106210420) is 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC2(C(F)(F)F)CC2)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is BYULFBUPNQSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-10(2)8(7-3-6-17-9(7)10)16-11(4-5-11)12(13,14)15/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 249.28 g/mol, XLogP of 2.48, 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-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 106210420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).