1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol

C11H12F3NO2 — CID 55169790

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyKVMWMAOUHMJEHK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.76
Rot. Bonds3

About 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol

1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol (PubChem CID 55169790) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
PubChem CID55169790
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyKVMWMAOUHMJEHK-UHFFFAOYSA-N
XLogP1.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
(6R)-6-hydroxy-1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-2-one
CID 26138380
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 133131528
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol
CID 164695096
[4-[[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]phenyl]boronic acid
CID 68627108
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636
(3aS,5R,6R,7aR)-6-methoxy-N,N-dimethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 172670141

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol (CID 55169790) is 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol is OC1CN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The InChIKey is KVMWMAOUHMJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2.
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 55169790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).