3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol

C12H20F3NO2 — CID 103921050

IUPAC3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)C(NCC(O)C(F)(F)F)C2CCCOC21
InChIInChI=1S/C12H20F3NO2/c1-11(2)9(7-4-3-5-18-10(7)11)16-6-8(17)12(13,14)15/h7-10,16-17H,3-6H2,1-2H3
InChIKeyCUHYKNVQBJMIEI-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.70
Rot. Bonds3

About 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103921050) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103921050
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)C(NCC(O)C(F)(F)F)C2CCCOC21
InChIInChI=1S/C12H20F3NO2/c1-11(2)9(7-4-3-5-18-10(7)11)16-6-8(17)12(13,14)15/h7-10,16-17H,3-6H2,1-2H3
InChIKeyCUHYKNVQBJMIEI-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103921050) is 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol is CC1(C)C(NCC(O)C(F)(F)F)C2CCCOC21.
What is the InChIKey of 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CUHYKNVQBJMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2)9(7-4-3-5-18-10(7)11)16-6-8(17)12(13,14)15/h7-10,16-17H,3-6H2,1-2H3.
What are the key properties of 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 267.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103921050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).