2-(1,1,2-trifluoroethyl)-1,2-benzoxazine

C10H8F3NO — CID 68509749

IUPAC2-(1,1,2-trifluoroethyl)-1,2-benzoxazine
SMILESFCC(F)(F)N1C=Cc2ccccc2O1
InChIInChI=1S/C10H8F3NO/c11-7-10(12,13)14-6-5-8-3-1-2-4-9(8)15-14/h1-6H,7H2
InChIKeyDFNBCLSKXBEKNP-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.83
Rot. Bonds2

About 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine

2-(1,1,2-trifluoroethyl)-1,2-benzoxazine (PubChem CID 68509749) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethyl)-1,2-benzoxazine
PubChem CID68509749
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-(1,1,2-trifluoroethyl)-1,2-benzoxazine
SMILESFCC(F)(F)N1C=Cc2ccccc2O1
InChIInChI=1S/C10H8F3NO/c11-7-10(12,13)14-6-5-8-3-1-2-4-9(8)15-14/h1-6H,7H2
InChIKeyDFNBCLSKXBEKNP-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Benzoxazines
CID 17845026
7,8-Difluoro-3-methylbenzoxazine
CID 19869898
7,8-Difluorobenz-oxazine
CID 134823990
p-trifluoromethylphenoxy-N-methyl-propylamine
CID 129716509
Benzoxazine hydrochloride
CID 17845025
1,2-Benzoxazin-2-ium 2-oxide
CID 21912713
Aminobenzoxazine
CID 22177461
Methylbenzoxazine
CID 22266726
Allyl benzoxazine
CID 67120017
2-Amino-benzoxazine
CID 68604665
Vinylbenzoxazine
CID 129786735
Benzooxazine hydrobromide
CID 129804588

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine?
The IUPAC name of 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine (CID 68509749) is 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine.
What is the SMILES notation for 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine?
The canonical SMILES for 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine is FCC(F)(F)N1C=Cc2ccccc2O1.
What is the InChIKey of 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine?
The InChIKey is DFNBCLSKXBEKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-7-10(12,13)14-6-5-8-3-1-2-4-9(8)15-14/h1-6H,7H2.
What are the key properties of 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine?
2-(1,1,2-trifluoroethyl)-1,2-benzoxazine has a molecular weight of 215.17 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethyl)-1,2-benzoxazine is sourced from PubChem (CID 68509749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).