3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol

C11H19F2NO2 — CID 104860446

IUPAC3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1(C)C(NCC(F)(F)CO)C2CCOC21
InChIInChI=1S/C11H19F2NO2/c1-10(2)8(7-3-4-16-9(7)10)14-5-11(12,13)6-15/h7-9,14-15H,3-6H2,1-2H3
InChIKeyRUIYDCAZLMYDOS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.02
Rot. Bonds4

About 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol

3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860446) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860446
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1(C)C(NCC(F)(F)CO)C2CCOC21
InChIInChI=1S/C11H19F2NO2/c1-10(2)8(7-3-4-16-9(7)10)14-5-11(12,13)6-15/h7-9,14-15H,3-6H2,1-2H3
InChIKeyRUIYDCAZLMYDOS-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol (CID 104860446) is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol is CC1(C)C(NCC(F)(F)CO)C2CCOC21.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is RUIYDCAZLMYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2)8(7-3-4-16-9(7)10)14-5-11(12,13)6-15/h7-9,14-15H,3-6H2,1-2H3.
What are the key properties of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol?
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 235.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).