3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol

C11H12F3NO — CID 103863134

IUPAC3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CNC1
InChIInChI=1S/C11H12F3NO/c1-7-4-8(11(12,13)14)2-3-9(7)10(16)5-15-6-10/h2-4,15-16H,5-6H2,1H3
InChIKeyRBUJLLXYUGQULI-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.80
Rot. Bonds1

About 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol

3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol (PubChem CID 103863134) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
PubChem CID103863134
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CNC1
InChIInChI=1S/C11H12F3NO/c1-7-4-8(11(12,13)14)2-3-9(7)10(16)5-15-6-10/h2-4,15-16H,5-6H2,1H3
InChIKeyRBUJLLXYUGQULI-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol?
The IUPAC name of 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol (CID 103863134) is 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol.
What is the SMILES notation for 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol?
The canonical SMILES for 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol is Cc1cc(C(F)(F)F)ccc1C1(O)CNC1.
What is the InChIKey of 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol?
The InChIKey is RBUJLLXYUGQULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-4-8(11(12,13)14)2-3-9(7)10(16)5-15-6-10/h2-4,15-16H,5-6H2,1H3.
What are the key properties of 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol?
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol has a molecular weight of 231.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol is sourced from PubChem (CID 103863134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).