7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

C16H16FNO — CID 117046650

IUPAC7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
SMILESFc1cccc2c1CNCCC(c1ccccc1)O2
InChIInChI=1S/C16H16FNO/c17-14-7-4-8-16-13(14)11-18-10-9-15(19-16)12-5-2-1-3-6-12/h1-8,15,18H,9-11H2
InChIKeyQWHZNDJEJVDLGT-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.44
Rot. Bonds1

About 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (PubChem CID 117046650) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine.

Molecular Properties

Compound Name7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
PubChem CID117046650
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
SMILESFc1cccc2c1CNCCC(c1ccccc1)O2
InChIInChI=1S/C16H16FNO/c17-14-7-4-8-16-13(14)11-18-10-9-15(19-16)12-5-2-1-3-6-12/h1-8,15,18H,9-11H2
InChIKeyQWHZNDJEJVDLGT-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 12951842
9-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 117046651
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
4,4-dimethyl-2-phenyl-2,3-dihydrochromene
CID 54282692
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
2-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b][1,5]oxazocine
CID 175872654
2,6-diphenylmorpholine
CID 43381979
2-phenyl-2,3-dihydro-1,4-benzoxathiine
CID 10398900

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The IUPAC name of 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (CID 117046650) is 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine.
What is the SMILES notation for 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The canonical SMILES for 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine is Fc1cccc2c1CNCCC(c1ccccc1)O2.
What is the InChIKey of 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
The InChIKey is QWHZNDJEJVDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-7-4-8-16-13(14)11-18-10-9-15(19-16)12-5-2-1-3-6-12/h1-8,15,18H,9-11H2.
What are the key properties of 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine?
7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine has a molecular weight of 257.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine is sourced from PubChem (CID 117046650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).