4-[(4-fluorophenyl)methyl]thiomorpholine

C11H14FNS — CID 792708

IUPAC4-[(4-fluorophenyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14FNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyAYGBTECRJAHBKF-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.37
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]thiomorpholine

4-[(4-fluorophenyl)methyl]thiomorpholine (PubChem CID 792708) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]thiomorpholine
PubChem CID792708
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name4-[(4-fluorophenyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14FNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyAYGBTECRJAHBKF-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidine
CID 76190
1-[(4-Fluorophenyl)methyl]-4-methylpiperazine
CID 765182
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(3-Chlorobenzyl)thiomorpholine
CID 792437
4-[3-(Trifluoromethyl)benzyl]thiomorpholine
CID 792495
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-(2,5-Dimethylbenzyl)thiomorpholine
CID 1377102

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]thiomorpholine (CID 792708) is 4-[(4-fluorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]thiomorpholine is Fc1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]thiomorpholine?
The InChIKey is AYGBTECRJAHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]thiomorpholine?
4-[(4-fluorophenyl)methyl]thiomorpholine has a molecular weight of 211.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 792708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).