5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine

C8H7F2NO — CID 166065942

IUPAC5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1F)NCCO2
InChIInChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)11-3-4-12-6/h1-2,11H,3-4H2
InChIKeyBPEBGQXTQGXNFN-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.77
Rot. Bonds

About 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine

5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 166065942) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID166065942
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1F)NCCO2
InChIInChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)11-3-4-12-6/h1-2,11H,3-4H2
InChIKeyBPEBGQXTQGXNFN-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817450
3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine
CID 89456310
3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
CID 14988451
CID 89013099
CID 89013099
8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
CID 10028646
2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 159928014
5-butan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 137426093
6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 141142809
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
8-chloro-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 137386857
7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-6-carbaldehyde
CID 87510352
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 166065942) is 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2c(c1F)NCCO2.
What is the InChIKey of 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BPEBGQXTQGXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)11-3-4-12-6/h1-2,11H,3-4H2.
What are the key properties of 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 171.15 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 166065942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).