[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol

C7H12F3NO — CID 46942221

IUPAC[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol
SMILESCC(N1CC(CO)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(7(8,9)10)11-2-6(3-11)4-12/h5-6,12H,2-4H2,1H3
InChIKeyVLMMTELCEYMWMA-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.86
Rot. Bonds2

About [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol

[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol (PubChem CID 46942221) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol
PubChem CID46942221
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol
SMILESCC(N1CC(CO)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(7(8,9)10)11-2-6(3-11)4-12/h5-6,12H,2-4H2,1H3
InChIKeyVLMMTELCEYMWMA-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol?
The IUPAC name of [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol (CID 46942221) is [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol is CC(N1CC(CO)C1)C(F)(F)F.
What is the InChIKey of [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol?
The InChIKey is VLMMTELCEYMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(7(8,9)10)11-2-6(3-11)4-12/h5-6,12H,2-4H2,1H3.
What are the key properties of [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol?
[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]methanol is sourced from PubChem (CID 46942221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).