1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol

C8H14F3NO — CID 118544761

IUPAC1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESCC(C)CN1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2)3-12-4-7(13,5-12)8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyOPMUAYIFISMPAM-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol

1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 118544761) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol
PubChem CID118544761
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESCC(C)CN1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2)3-12-4-7(13,5-12)8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyOPMUAYIFISMPAM-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol (CID 118544761) is 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol is CC(C)CN1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is OPMUAYIFISMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)3-12-4-7(13,5-12)8(9,10)11/h6,13H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol?
1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 118544761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).