ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine

C8H16F3NO — CID 178127794

IUPACethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC.CC1(OCC(F)(F)F)CNC1
InChIInChI=1S/C6H10F3NO.C2H6/c1-5(2-10-3-5)11-4-6(7,8)9;1-2/h10H,2-4H2,1H3;1-2H3
InChIKeyDXRADDRYFHURSI-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds2

About ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine

ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine (PubChem CID 178127794) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Nameethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine
PubChem CID178127794
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Nameethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC.CC1(OCC(F)(F)F)CNC1
InChIInChI=1S/C6H10F3NO.C2H6/c1-5(2-10-3-5)11-4-6(7,8)9;1-2/h10H,2-4H2,1H3;1-2H3
InChIKeyDXRADDRYFHURSI-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine?
The IUPAC name of ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine (CID 178127794) is ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine is CC.CC1(OCC(F)(F)F)CNC1.
What is the InChIKey of ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine?
The InChIKey is DXRADDRYFHURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C2H6/c1-5(2-10-3-5)11-4-6(7,8)9;1-2/h10H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine?
ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine is sourced from PubChem (CID 178127794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).