(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane

C11H16FNO2S — CID 159298384

IUPAC(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
SMILESCOC[C@@H]1CN(C)c2cccc(F)c2O1.S
InChIInChI=1S/C11H14FNO2.H2S/c1-13-6-8(7-14-2)15-11-9(12)4-3-5-10(11)13;/h3-5,8H,6-7H2,1-2H3;1H2/t8-;/m0./s1
InChIKeyLBABSIXUYMPLHF-QRPNPIFTSA-N
MW245.32 g/mol
LogP1.78
Rot. Bonds2

About (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane

(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane (PubChem CID 159298384) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane.

Molecular Properties

Compound Name(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
PubChem CID159298384
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
SMILESCOC[C@@H]1CN(C)c2cccc(F)c2O1.S
InChIInChI=1S/C11H14FNO2.H2S/c1-13-6-8(7-14-2)15-11-9(12)4-3-5-10(11)13;/h3-5,8H,6-7H2,1-2H3;1H2/t8-;/m0./s1
InChIKeyLBABSIXUYMPLHF-QRPNPIFTSA-N
XLogP1.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane?
The IUPAC name of (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane (CID 159298384) is (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane.
What is the SMILES notation for (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane?
The canonical SMILES for (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane is COC[C@@H]1CN(C)c2cccc(F)c2O1.S.
What is the InChIKey of (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane?
The InChIKey is LBABSIXUYMPLHF-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14FNO2.H2S/c1-13-6-8(7-14-2)15-11-9(12)4-3-5-10(11)13;/h3-5,8H,6-7H2,1-2H3;1H2/t8-;/m0./s1.
What are the key properties of (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane?
(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane has a molecular weight of 245.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane is sourced from PubChem (CID 159298384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).