8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine

C12H20F3NO — CID 64862669

IUPAC8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCC(F)(F)F)C2CCCOC21
InChIInChI=1S/C12H20F3NO/c1-11(2)9(16-6-5-12(13,14)15)8-4-3-7-17-10(8)11/h8-10,16H,3-7H2,1-2H3
InChIKeyQDRLJRLUGWNPNX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.73
Rot. Bonds3

About 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862669) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862669
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCC(F)(F)F)C2CCCOC21
InChIInChI=1S/C12H20F3NO/c1-11(2)9(16-6-5-12(13,14)15)8-4-3-7-17-10(8)11/h8-10,16H,3-7H2,1-2H3
InChIKeyQDRLJRLUGWNPNX-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.73
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-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862669) is 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCCC(F)(F)F)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is QDRLJRLUGWNPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-11(2)9(16-6-5-12(13,14)15)8-4-3-7-17-10(8)11/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 251.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).