(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C19H25F3N2O2 — CID 122251019

IUPAC(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCC(C)C1CCC(C(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)13-5-7-14(8-6-13)18(25)24-10-15(11-24)26-17-16(19(20,21)22)4-3-9-23-17/h3-4,9,12-15H,5-8,10-11H2,1-2H3
InChIKeyLNDDYRKVCQDTOO-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.15
Rot. Bonds4

About (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251019) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251019
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCC(C)C1CCC(C(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)13-5-7-14(8-6-13)18(25)24-10-15(11-24)26-17-16(19(20,21)22)4-3-9-23-17/h3-4,9,12-15H,5-8,10-11H2,1-2H3
InChIKeyLNDDYRKVCQDTOO-UHFFFAOYSA-N
XLogP4.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251019) is (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is CC(C)C1CCC(C(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is LNDDYRKVCQDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-12(2)13-5-7-14(8-6-13)18(25)24-10-15(11-24)26-17-16(19(20,21)22)4-3-9-23-17/h3-4,9,12-15H,5-8,10-11H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).