(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H9F2NO — CID 13192918

IUPAC(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESC[C@@H]1COc2c(ccc(F)c2F)N1
InChIInChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3/t5-/m1/s1
InChIKeyBVHSAZFNVBBGNX-RXMQYKEDSA-N
MW185.17 g/mol
LogP2.16
Rot. Bonds

About (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 13192918) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID13192918
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESC[C@@H]1COc2c(ccc(F)c2F)N1
InChIInChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3/t5-/m1/s1
InChIKeyBVHSAZFNVBBGNX-RXMQYKEDSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 13192918) is (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is C[C@@H]1COc2c(ccc(F)c2F)N1.
What is the InChIKey of (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BVHSAZFNVBBGNX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
(3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 185.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 13192918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).