2-(3-fluorophenyl)-3,6-dimethylmorpholine

C12H16FNO — CID 114872193

IUPAC2-(3-fluorophenyl)-3,6-dimethylmorpholine
SMILESCC1CNC(C)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H16FNO/c1-8-7-14-9(2)12(15-8)10-4-3-5-11(13)6-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyZUHTZJRCRXWJGA-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.26
Rot. Bonds1

About 2-(3-fluorophenyl)-3,6-dimethylmorpholine

2-(3-fluorophenyl)-3,6-dimethylmorpholine (PubChem CID 114872193) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3,6-dimethylmorpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3,6-dimethylmorpholine
PubChem CID114872193
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(3-fluorophenyl)-3,6-dimethylmorpholine
SMILESCC1CNC(C)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H16FNO/c1-8-7-14-9(2)12(15-8)10-4-3-5-11(13)6-10/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyZUHTZJRCRXWJGA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
CID 114872236
2-(3-fluorophenyl)-3-methyl-6-propan-2-ylmorpholine
CID 114872237
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
7-(3-fluorophenyl)-8-methyl-6-oxa-9-azaspiro[4.5]decane
CID 114872207
(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
CID 66684519
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
2-(3-fluorophenyl)-4-methyl-1,3-oxazolidine
CID 82280855
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872241
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872220
(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
CID 67655096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3,6-dimethylmorpholine?
The IUPAC name of 2-(3-fluorophenyl)-3,6-dimethylmorpholine (CID 114872193) is 2-(3-fluorophenyl)-3,6-dimethylmorpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-3,6-dimethylmorpholine?
The canonical SMILES for 2-(3-fluorophenyl)-3,6-dimethylmorpholine is CC1CNC(C)C(c2cccc(F)c2)O1.
What is the InChIKey of 2-(3-fluorophenyl)-3,6-dimethylmorpholine?
The InChIKey is ZUHTZJRCRXWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-7-14-9(2)12(15-8)10-4-3-5-11(13)6-10/h3-6,8-9,12,14H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3,6-dimethylmorpholine?
2-(3-fluorophenyl)-3,6-dimethylmorpholine has a molecular weight of 209.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3,6-dimethylmorpholine is sourced from PubChem (CID 114872193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).