7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine

C10H10F3NO — CID 22620705

IUPAC7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
SMILESFC(F)(F)c1ccc2c(c1)COCCN2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2
InChIKeyQNXRTGXDIPWTLW-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.65
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine

7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine (PubChem CID 22620705) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
PubChem CID22620705
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
SMILESFC(F)(F)c1ccc2c(c1)COCCN2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2
InChIKeyQNXRTGXDIPWTLW-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine (CID 22620705) is 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine is FC(F)(F)c1ccc2c(c1)COCCN2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine?
The InChIKey is QNXRTGXDIPWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine?
7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine has a molecular weight of 217.19 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine is sourced from PubChem (CID 22620705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).