2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

C10H7F6NO — CID 81197834

IUPAC2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)NCC(C(F)(F)F)O2
InChIInChI=1S/C10H7F6NO/c11-9(12,13)5-1-2-7-6(3-5)17-4-8(18-7)10(14,15)16/h1-3,8,17H,4H2
InChIKeyWLMFMLIQCDQSTM-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.44
Rot. Bonds

About 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81197834) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81197834
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)NCC(C(F)(F)F)O2
InChIInChI=1S/C10H7F6NO/c11-9(12,13)5-1-2-7-6(3-5)17-4-8(18-7)10(14,15)16/h1-3,8,17H,4H2
InChIKeyWLMFMLIQCDQSTM-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 81197834) is 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is FC(F)(F)c1ccc2c(c1)NCC(C(F)(F)F)O2.
What is the InChIKey of 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is WLMFMLIQCDQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)5-1-2-7-6(3-5)17-4-8(18-7)10(14,15)16/h1-3,8,17H,4H2.
What are the key properties of 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 271.16 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81197834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).