2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride

C14H19ClF3NO — CID 117226782

IUPAC2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(Cc2cccc(C(F)(F)F)c2)OC1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-10-8-18-13(2,19-9-10)7-11-4-3-5-12(6-11)14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3;1H
InChIKeyYRVZNXPYEVKFLF-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.64
Rot. Bonds2

About 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride

2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride (PubChem CID 117226782) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
PubChem CID117226782
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(Cc2cccc(C(F)(F)F)c2)OC1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-10-8-18-13(2,19-9-10)7-11-4-3-5-12(6-11)14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3;1H
InChIKeyYRVZNXPYEVKFLF-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine
CID 115927272
2-ethyl-2,5-dimethyl-1,3-oxazinane
CID 117226941
N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 116539278
5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
CID 117228982
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
CID 156602633
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
2-chloro-3-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thietane
CID 123451519
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carbonitrile
CID 65378094
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride (CID 117226782) is 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride is CC1CNC(C)(Cc2cccc(C(F)(F)F)c2)OC1.Cl.
What is the InChIKey of 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The InChIKey is YRVZNXPYEVKFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO.ClH/c1-10-8-18-13(2,19-9-10)7-11-4-3-5-12(6-11)14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3;1H.
What are the key properties of 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).