(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H10FNO — CID 94804094

IUPAC(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESC[C@H]1CNc2cc(F)ccc2O1
InChIInChI=1S/C9H10FNO/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyAMTHYOLDKMTOCX-LURJTMIESA-N
MW167.18 g/mol
LogP2.02
Rot. Bonds

About (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 94804094) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID94804094
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESC[C@H]1CNc2cc(F)ccc2O1
InChIInChI=1S/C9H10FNO/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyAMTHYOLDKMTOCX-LURJTMIESA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817485
6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82229801
6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 123180259
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 94804094) is (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is C[C@H]1CNc2cc(F)ccc2O1.
What is the InChIKey of (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is AMTHYOLDKMTOCX-LURJTMIESA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 167.18 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 94804094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).