8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine

C9H10FNO — CID 67200593

IUPAC8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESFc1ccc2c(c1)OCCNC2
InChIInChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChIKeyMCVXZLUQBPRIOC-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.31
Rot. Bonds

About 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine

8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 67200593) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID67200593
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESFc1ccc2c(c1)OCCNC2
InChIInChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChIKeyMCVXZLUQBPRIOC-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 67200593) is 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine is Fc1ccc2c(c1)OCCNC2.
What is the InChIKey of 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is MCVXZLUQBPRIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2.
What are the key properties of 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine?
8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 167.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 67200593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).