1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid

C18H17F3N2O3 — CID 46873002

IUPAC1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)nc2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-3-1-2-12(6-15)11-26-16-5-4-13(7-22-16)8-23-9-14(10-23)17(24)25/h1-7,14H,8-11H2,(H,24,25)
InChIKeyDHMKCULALDRBMT-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid

1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid (PubChem CID 46873002) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid
PubChem CID46873002
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)nc2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-3-1-2-12(6-15)11-26-16-5-4-13(7-22-16)8-23-9-14(10-23)17(24)25/h1-7,14H,8-11H2,(H,24,25)
InChIKeyDHMKCULALDRBMT-UHFFFAOYSA-N
XLogP3.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid (CID 46873002) is 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)nc2)C1.
What is the InChIKey of 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is DHMKCULALDRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)15-3-1-2-12(6-15)11-26-16-5-4-13(7-22-16)8-23-9-14(10-23)17(24)25/h1-7,14H,8-11H2,(H,24,25).
What are the key properties of 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid?
1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 366.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 46873002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).