(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C10H11FN2O — CID 130848036

IUPAC(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=N[C@@H](c2ccc(F)cc2)COC1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m1/s1
InChIKeyDMTIBCSSHKBNBX-SECBINFHSA-N
MW194.21 g/mol
LogP1.25
Rot. Bonds1

About (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 130848036) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID130848036
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=N[C@@H](c2ccc(F)cc2)COC1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m1/s1
InChIKeyDMTIBCSSHKBNBX-SECBINFHSA-N
XLogP1.25
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 130848036) is (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is NC1=N[C@@H](c2ccc(F)cc2)COC1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is DMTIBCSSHKBNBX-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)/t9-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 194.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 130848036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).