(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane

C12H18FNO2 — CID 158115173

IUPAC(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane
SMILESC.COC[C@H]1CN(C)c2cc(F)ccc2O1
InChIInChI=1S/C11H14FNO2.CH4/c1-13-6-9(7-14-2)15-11-4-3-8(12)5-10(11)13;/h3-5,9H,6-7H2,1-2H3;1H4/t9-;/m1./s1
InChIKeyFQXIHNOQYOVWKT-SBSPUUFOSA-N
MW227.28 g/mol
LogP2.31
Rot. Bonds2

About (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane

(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane (PubChem CID 158115173) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane.

Molecular Properties

Compound Name(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane
PubChem CID158115173
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane
SMILESC.COC[C@H]1CN(C)c2cc(F)ccc2O1
InChIInChI=1S/C11H14FNO2.CH4/c1-13-6-9(7-14-2)15-11-4-3-8(12)5-10(11)13;/h3-5,9H,6-7H2,1-2H3;1H4/t9-;/m1./s1
InChIKeyFQXIHNOQYOVWKT-SBSPUUFOSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 58740927
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 58628151
(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 159298384
methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 157326649
[(2S)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol;[(2S)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl 4-nitrobenzenesulfonate
CID 87940237
(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine
CID 58740910
(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 171370263
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
N-ethyl-7-fluoro-4-(4-fluorophenyl)sulfonyl-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
CID 123895832

Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane?
The IUPAC name of (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane (CID 158115173) is (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane.
What is the SMILES notation for (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane?
The canonical SMILES for (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane is C.COC[C@H]1CN(C)c2cc(F)ccc2O1.
What is the InChIKey of (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane?
The InChIKey is FQXIHNOQYOVWKT-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14FNO2.CH4/c1-13-6-9(7-14-2)15-11-4-3-8(12)5-10(11)13;/h3-5,9H,6-7H2,1-2H3;1H4/t9-;/m1./s1.
What are the key properties of (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane?
(2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane has a molecular weight of 227.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;methane is sourced from PubChem (CID 158115173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).