2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine

C12H16FNS — CID 174785090

IUPAC2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
SMILESCN1CCSC(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H16FNS/c1-14-5-6-15-12(9-14)8-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyRXPCPWQLNZKLNE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine

2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine (PubChem CID 174785090) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
PubChem CID174785090
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
SMILESCN1CCSC(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H16FNS/c1-14-5-6-15-12(9-14)8-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyRXPCPWQLNZKLNE-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[(3-fluorophenyl)methyl]thiomorpholine
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2-[(3-fluorophenyl)methyl]-1,3-dithiane
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1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
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CID 116926377
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491
5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995522
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542536
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine (CID 174785090) is 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine is CN1CCSC(Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine?
The InChIKey is RXPCPWQLNZKLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-14-5-6-15-12(9-14)8-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine?
2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine has a molecular weight of 225.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine is sourced from PubChem (CID 174785090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).