2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane

C10H11F3N2O — CID 174378311

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane
SMILESFC(F)(F)c1cccc(C2NNCCO2)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-3-1-2-7(6-8)9-15-14-4-5-16-9/h1-3,6,9,14-15H,4-5H2
InChIKeyIXYFTRLQSUBODV-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.83
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane

2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane (PubChem CID 174378311) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane
PubChem CID174378311
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane
SMILESFC(F)(F)c1cccc(C2NNCCO2)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-3-1-2-7(6-8)9-15-14-4-5-16-9/h1-3,6,9,14-15H,4-5H2
InChIKeyIXYFTRLQSUBODV-UHFFFAOYSA-N
XLogP1.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 105469483
2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 129367454
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane (CID 174378311) is 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane is FC(F)(F)c1cccc(C2NNCCO2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane?
The InChIKey is IXYFTRLQSUBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)8-3-1-2-7(6-8)9-15-14-4-5-16-9/h1-3,6,9,14-15H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane?
2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane has a molecular weight of 232.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazinane is sourced from PubChem (CID 174378311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).