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

C9H7ClF3NO — CID 167069080

IUPAC8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine
SMILESFC(F)(F)c1cc(Cl)c2c(c1)CNCO2
InChIInChI=1S/C9H7ClF3NO/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-2,14H,3-4H2
InChIKeyTXVACAAXTLUSLQ-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.80
Rot. Bonds

About 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine

8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine (PubChem CID 167069080) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine
PubChem CID167069080
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine
SMILESFC(F)(F)c1cc(Cl)c2c(c1)CNCO2
InChIInChI=1S/C9H7ClF3NO/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-2,14H,3-4H2
InChIKeyTXVACAAXTLUSLQ-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine (CID 167069080) is 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine is FC(F)(F)c1cc(Cl)c2c(c1)CNCO2.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The InChIKey is TXVACAAXTLUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-2,14H,3-4H2.
What are the key properties of 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine?
8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine has a molecular weight of 237.61 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-1,3-benzoxazine is sourced from PubChem (CID 167069080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).