7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

C8H8FNO — CID 14422953

IUPAC7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyVRBQMPCMLZNPSK-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.63
Rot. Bonds

About 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 14422953) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID14422953
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyVRBQMPCMLZNPSK-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-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 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 14422953) is 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2c(c1)OCCN2.
What is the InChIKey of 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VRBQMPCMLZNPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2.
What are the key properties of 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
7-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 153.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 14422953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).