1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine

C11H11ClF3NO — CID 151114566

IUPAC1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(CN2CCC2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-9-6-8(7-16-4-1-5-16)2-3-10(9)17-11(13,14)15/h2-3,6H,1,4-5,7H2
InChIKeyMQWMCHDGXSBRKZ-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.44
Rot. Bonds3

About 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine

1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine (PubChem CID 151114566) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine.

Molecular Properties

Compound Name1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine
PubChem CID151114566
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(CN2CCC2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-9-6-8(7-16-4-1-5-16)2-3-10(9)17-11(13,14)15/h2-3,6H,1,4-5,7H2
InChIKeyMQWMCHDGXSBRKZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
2-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(trifluoromethyl)pyridine
CID 56710055
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
CID 66720549
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
7-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-[[5-(pyrrolidin-1-ylmethyl)-2-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154218742
1-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 175987694
4-[4-(bromomethyl)phenyl]-2-chloro-1-(trifluoromethoxy)benzene
CID 44627771

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine?
The IUPAC name of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine (CID 151114566) is 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine.
What is the SMILES notation for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine?
The canonical SMILES for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine is FC(F)(F)Oc1ccc(CN2CCC2)cc1Cl.
What is the InChIKey of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine?
The InChIKey is MQWMCHDGXSBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-9-6-8(7-16-4-1-5-16)2-3-10(9)17-11(13,14)15/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine?
1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine has a molecular weight of 265.66 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine is sourced from PubChem (CID 151114566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).