1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine

C14H24F3NO — CID 154623714

IUPAC1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC(C)C1CCC(N2CC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3NO/c1-10(2)11-3-5-12(6-4-11)18-7-13(8-18)19-9-14(15,16)17/h10-13H,3-9H2,1-2H3
InChIKeyKZLPPJWCJQFQSD-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine

1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine (PubChem CID 154623714) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine
PubChem CID154623714
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC(C)C1CCC(N2CC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C14H24F3NO/c1-10(2)11-3-5-12(6-4-11)18-7-13(8-18)19-9-14(15,16)17/h10-13H,3-9H2,1-2H3
InChIKeyKZLPPJWCJQFQSD-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 177011505
1-(iodomethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 114773879
ethane;2-methyl-1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]propan-1-one
CID 145287436
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 103562243
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
4-(3-propan-2-yloxyazetidin-1-yl)piperidine
CID 165137424
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine (CID 154623714) is 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine is CC(C)C1CCC(N2CC(OCC(F)(F)F)C2)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine?
The InChIKey is KZLPPJWCJQFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(2)11-3-5-12(6-4-11)18-7-13(8-18)19-9-14(15,16)17/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine?
1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine has a molecular weight of 279.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)-3-(2,2,2-trifluoroethoxy)azetidine is sourced from PubChem (CID 154623714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).