5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine

C14H15F5N2O2 — CID 71008927

IUPAC5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine
SMILESCC1(c2cccc(OCCC(F)(F)F)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C14H15F5N2O2/c1-12(13(15,16)8-23-11(20)21-12)9-3-2-4-10(7-9)22-6-5-14(17,18)19/h2-4,7H,5-6,8H2,1H3,(H2,20,21)
InChIKeyLMJKJXJJJDZRER-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.21
Rot. Bonds4

About 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine

5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine (PubChem CID 71008927) has the molecular formula C14H15F5N2O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine
PubChem CID71008927
Molecular FormulaC14H15F5N2O2
Molecular Weight338.28 g/mol
Exact Mass338.11
IUPAC Name5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine
SMILESCC1(c2cccc(OCCC(F)(F)F)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C14H15F5N2O2/c1-12(13(15,16)8-23-11(20)21-12)9-3-2-4-10(7-9)22-6-5-14(17,18)19/h2-4,7H,5-6,8H2,1H3,(H2,20,21)
InChIKeyLMJKJXJJJDZRER-UHFFFAOYSA-N
XLogP3.21
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine?
The IUPAC name of 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine (CID 71008927) is 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine.
What is the SMILES notation for 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine?
The canonical SMILES for 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine is CC1(c2cccc(OCCC(F)(F)F)c2)N=C(N)OCC1(F)F.
What is the InChIKey of 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine?
The InChIKey is LMJKJXJJJDZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5N2O2/c1-12(13(15,16)8-23-11(20)21-12)9-3-2-4-10(7-9)22-6-5-14(17,18)19/h2-4,7H,5-6,8H2,1H3,(H2,20,21).
What are the key properties of 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine?
5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine has a molecular weight of 338.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-methyl-4-[3-(3,3,3-trifluoropropoxy)phenyl]-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 71008927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).