7,8-difluoro-3-methyl-2H-1,2-benzoxazine

C9H7F2NO — CID 19869898

IUPAC7,8-difluoro-3-methyl-2H-1,2-benzoxazine
SMILESCC1=Cc2ccc(F)c(F)c2ON1
InChIInChI=1S/C9H7F2NO/c1-5-4-6-2-3-7(10)8(11)9(6)13-12-5/h2-4,12H,1H3
InChIKeyUIJOTRPCRQLEKV-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.22
Rot. Bonds

About 7,8-difluoro-3-methyl-2H-1,2-benzoxazine

7,8-difluoro-3-methyl-2H-1,2-benzoxazine (PubChem CID 19869898) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 7,8-difluoro-3-methyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name7,8-difluoro-3-methyl-2H-1,2-benzoxazine
PubChem CID19869898
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name7,8-difluoro-3-methyl-2H-1,2-benzoxazine
SMILESCC1=Cc2ccc(F)c(F)c2ON1
InChIInChI=1S/C9H7F2NO/c1-5-4-6-2-3-7(10)8(11)9(6)13-12-5/h2-4,12H,1H3
InChIKeyUIJOTRPCRQLEKV-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoxazines
CID 17845026
7,8-Difluorobenz-oxazine
CID 134823990
Aminobenzoxazine
CID 22177461
Methylbenzoxazine
CID 22266726
Allyl benzoxazine
CID 67120017
Monobromobenzoxazine
CID 68559991
Vinylbenzoxazine
CID 129786735
Bis-allyl benzoxazine
CID 129833731
Propargyl benzoxazine
CID 129851438
Deuterobenzoxazine
CID 129874883
3-t-Butylbenzoxazine
CID 138376817
2-(1,1,2-Trifluoroethyl)-1,2-benzoxazine
CID 68509749

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-methyl-2H-1,2-benzoxazine?
The IUPAC name of 7,8-difluoro-3-methyl-2H-1,2-benzoxazine (CID 19869898) is 7,8-difluoro-3-methyl-2H-1,2-benzoxazine.
What is the SMILES notation for 7,8-difluoro-3-methyl-2H-1,2-benzoxazine?
The canonical SMILES for 7,8-difluoro-3-methyl-2H-1,2-benzoxazine is CC1=Cc2ccc(F)c(F)c2ON1.
What is the InChIKey of 7,8-difluoro-3-methyl-2H-1,2-benzoxazine?
The InChIKey is UIJOTRPCRQLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-5-4-6-2-3-7(10)8(11)9(6)13-12-5/h2-4,12H,1H3.
What are the key properties of 7,8-difluoro-3-methyl-2H-1,2-benzoxazine?
7,8-difluoro-3-methyl-2H-1,2-benzoxazine has a molecular weight of 183.16 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-methyl-2H-1,2-benzoxazine is sourced from PubChem (CID 19869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).