1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

C11H12F3NO — CID 63091103

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyUWIBCPHDTRWTPW-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.88
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (PubChem CID 63091103) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
PubChem CID63091103
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyUWIBCPHDTRWTPW-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4R)-4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-methylamino]acetic acid
CID 128993026
(3S,4S)-4-(trifluoromethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 120942811
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
[(3R,4R)-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120758679
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 134705357
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[(2-phenylphenyl)methyl]azetidin-3-ol
CID 141021378
4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (CID 63091103) is 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is OC1CN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The InChIKey is UWIBCPHDTRWTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol has a molecular weight of 231.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 63091103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).