3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine

C18H18F3N — CID 162572290

IUPAC3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
SMILESCC1CN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H18F3N/c1-13-11-22(12-13)17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18(19,20)21/h2-10,13,17H,11-12H2,1H3
InChIKeyPKHRZWCDCQBYRA-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.75
Rot. Bonds3

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

3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine (PubChem CID 162572290) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
PubChem CID162572290
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
SMILESCC1CN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H18F3N/c1-13-11-22(12-13)17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18(19,20)21/h2-10,13,17H,11-12H2,1H3
InChIKeyPKHRZWCDCQBYRA-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-tert-butyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 58665831
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 22451532
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
CID 68794269
1-[(3-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4010746
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
methyl (2S)-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 51003072
1-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 4595412
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 20794645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine?
The IUPAC name of 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine (CID 162572290) is 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine is CC1CN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine?
The InChIKey is PKHRZWCDCQBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-13-11-22(12-13)17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18(19,20)21/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine?
3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine has a molecular weight of 305.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 162572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).