2-(5-fluoro-2-methoxyphenyl)thiomorpholine

C11H14FNOS — CID 82081138

IUPAC2-(5-fluoro-2-methoxyphenyl)thiomorpholine
SMILESCOc1ccc(F)cc1C1CNCCS1
InChIInChI=1S/C11H14FNOS/c1-14-10-3-2-8(12)6-9(10)11-7-13-4-5-15-11/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeySHPIGUFRVHBKSK-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.21
Rot. Bonds2

About 2-(5-fluoro-2-methoxyphenyl)thiomorpholine

2-(5-fluoro-2-methoxyphenyl)thiomorpholine (PubChem CID 82081138) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)thiomorpholine
PubChem CID82081138
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-(5-fluoro-2-methoxyphenyl)thiomorpholine
SMILESCOc1ccc(F)cc1C1CNCCS1
InChIInChI=1S/C11H14FNOS/c1-14-10-3-2-8(12)6-9(10)11-7-13-4-5-15-11/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeySHPIGUFRVHBKSK-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)thiomorpholine
CID 82084348
5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
CID 82391341
(7S)-7-(2,5-difluorophenyl)-1,4-thiazepane
CID 124680748
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
3-(5-fluoro-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829356
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82114724
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)thiomorpholine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)thiomorpholine (CID 82081138) is 2-(5-fluoro-2-methoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)thiomorpholine is COc1ccc(F)cc1C1CNCCS1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)thiomorpholine?
The InChIKey is SHPIGUFRVHBKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-14-10-3-2-8(12)6-9(10)11-7-13-4-5-15-11/h2-3,6,11,13H,4-5,7H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)thiomorpholine?
2-(5-fluoro-2-methoxyphenyl)thiomorpholine has a molecular weight of 227.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)thiomorpholine is sourced from PubChem (CID 82081138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).