5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride

C14H19ClF3NO — CID 117226888

IUPAC5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(Cc2ccc(C(F)(F)F)cc2)OC1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-13(2)8-18-12(19-9-13)7-10-3-5-11(6-4-10)14(15,16)17;/h3-6,12,18H,7-9H2,1-2H3;1H
InChIKeyASVOBKUUVWGBSM-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.64
Rot. Bonds2

About 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride

5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride (PubChem CID 117226888) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
PubChem CID117226888
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(Cc2ccc(C(F)(F)F)cc2)OC1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-13(2)8-18-12(19-9-13)7-10-3-5-11(6-4-10)14(15,16)17;/h3-6,12,18H,7-9H2,1-2H3;1H
InChIKeyASVOBKUUVWGBSM-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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride (CID 117226888) is 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride is CC1(C)CNC(Cc2ccc(C(F)(F)F)cc2)OC1.Cl.
What is the InChIKey of 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
The InChIKey is ASVOBKUUVWGBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO.ClH/c1-13(2)8-18-12(19-9-13)7-10-3-5-11(6-4-10)14(15,16)17;/h3-6,12,18H,7-9H2,1-2H3;1H.
What are the key properties of 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride?
5,5-dimethyl-2-[[4-(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 5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).