3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine

C7H12FNO — CID 89115118

IUPAC3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine
SMILESCC1=C(C)N(C)C(F)CO1
InChIInChI=1S/C7H12FNO/c1-5-6(2)10-4-7(8)9(5)3/h7H,4H2,1-3H3
InChIKeyNTCHVLFGRWUNLR-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.50
Rot. Bonds

About 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine

3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine (PubChem CID 89115118) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine
PubChem CID89115118
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine
SMILESCC1=C(C)N(C)C(F)CO1
InChIInChI=1S/C7H12FNO/c1-5-6(2)10-4-7(8)9(5)3/h7H,4H2,1-3H3
InChIKeyNTCHVLFGRWUNLR-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine (CID 89115118) is 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine is CC1=C(C)N(C)C(F)CO1.
What is the InChIKey of 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine?
The InChIKey is NTCHVLFGRWUNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5-6(2)10-4-7(8)9(5)3/h7H,4H2,1-3H3.
What are the key properties of 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine?
3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine has a molecular weight of 145.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 89115118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).