2-(4-fluorophenyl)-6-methyl-1,4-oxazepane

C12H16FNO — CID 65035551

IUPAC2-(4-fluorophenyl)-6-methyl-1,4-oxazepane
SMILESCC1CNCC(c2ccc(F)cc2)OC1
InChIInChI=1S/C12H16FNO/c1-9-6-14-7-12(15-8-9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3
InChIKeyUAPHPMLXSDIPGL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.12
Rot. Bonds1

About 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane

2-(4-fluorophenyl)-6-methyl-1,4-oxazepane (PubChem CID 65035551) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-1,4-oxazepane
PubChem CID65035551
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(4-fluorophenyl)-6-methyl-1,4-oxazepane
SMILESCC1CNCC(c2ccc(F)cc2)OC1
InChIInChI=1S/C12H16FNO/c1-9-6-14-7-12(15-8-9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3
InChIKeyUAPHPMLXSDIPGL-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-6-methyl-1,4-oxazepane
CID 65035224
6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,4-oxazepane
CID 65034952
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
2-(2,4-dimethylphenyl)-6-methyl-1,4-oxazepane
CID 65035438
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
3-(4-fluorophenyl)azetidine
CID 55250938
(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholine
CID 66996015
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158357613
2-(3,5-difluorophenyl)-5-methylmorpholine
CID 78021784

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane (CID 65035551) is 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane is CC1CNCC(c2ccc(F)cc2)OC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane?
The InChIKey is UAPHPMLXSDIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-6-14-7-12(15-8-9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane?
2-(4-fluorophenyl)-6-methyl-1,4-oxazepane has a molecular weight of 209.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-1,4-oxazepane is sourced from PubChem (CID 65035551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).