7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine

C10H11F2NO — CID 82230165

IUPAC7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
SMILESCC1CNc2cc(F)cc(F)c2OC1
InChIInChI=1S/C10H11F2NO/c1-6-4-13-9-3-7(11)2-8(12)10(9)14-5-6/h2-3,6,13H,4-5H2,1H3
InChIKeyANYXCQHGHFPMCV-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.41
Rot. Bonds

About 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine

7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine (PubChem CID 82230165) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine.

Molecular Properties

Compound Name7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
PubChem CID82230165
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
SMILESCC1CNc2cc(F)cc(F)c2OC1
InChIInChI=1S/C10H11F2NO/c1-6-4-13-9-3-7(11)2-8(12)10(9)14-5-6/h2-3,6,13H,4-5H2,1H3
InChIKeyANYXCQHGHFPMCV-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82229801
(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
CID 59318441
(2S)-7,9-difluoro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 166099755
8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82229802
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 94975892
5-methyl-1,3-oxazinane-2-thione
CID 143100001
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386189
7-bromo-9-fluoro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233598
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
CID 106986066
(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 99879063

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine?
The IUPAC name of 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine (CID 82230165) is 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine.
What is the SMILES notation for 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine?
The canonical SMILES for 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine is CC1CNc2cc(F)cc(F)c2OC1.
What is the InChIKey of 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine?
The InChIKey is ANYXCQHGHFPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6-4-13-9-3-7(11)2-8(12)10(9)14-5-6/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine?
7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine has a molecular weight of 199.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine is sourced from PubChem (CID 82230165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).