8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile

C10H9FN2O — CID 84619055

IUPAC8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
SMILESCN1c2cccc(F)c2OCC1C#N
InChIInChI=1S/C10H9FN2O/c1-13-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-4,7H,6H2,1H3
InChIKeyFWWVCNVWOHEEQK-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.55
Rot. Bonds

About 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile

8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile (PubChem CID 84619055) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile.

Molecular Properties

Compound Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
PubChem CID84619055
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
SMILESCN1c2cccc(F)c2OCC1C#N
InChIInChI=1S/C10H9FN2O/c1-13-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-4,7H,6H2,1H3
InChIKeyFWWVCNVWOHEEQK-UHFFFAOYSA-N
XLogP1.55
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

4-methyl-2,3-dihydrobenzo[h][1,4]benzoxazine-3-carbonitrile
CID 84624570
4,6,8-trimethyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619887
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621513
(3S)-3-amino-9-fluoro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 67076961
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82229656
3-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)propanenitrile
CID 84622350
6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619871
3-(hydroxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carbonitrile
CID 84620174
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
2-(8-amino-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetonitrile
CID 84619999
2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84620761
7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 84621059

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile?
The IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile (CID 84619055) is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile.
What is the SMILES notation for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile?
The canonical SMILES for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile is CN1c2cccc(F)c2OCC1C#N.
What is the InChIKey of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile?
The InChIKey is FWWVCNVWOHEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-4,7H,6H2,1H3.
What are the key properties of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile?
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile is sourced from PubChem (CID 84619055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).