4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine

C11H13BrFNS — CID 792595

IUPAC4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cc1Br
InChIInChI=1S/C11H13BrFNS/c12-10-7-9(1-2-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHFSKLDPKSMUWAR-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.14
Rot. Bonds2

About 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine

4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine (PubChem CID 792595) has the molecular formula C11H13BrFNS and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine
PubChem CID792595
Molecular FormulaC11H13BrFNS
Molecular Weight290.20 g/mol
Exact Mass288.99
IUPAC Name4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cc1Br
InChIInChI=1S/C11H13BrFNS/c12-10-7-9(1-2-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHFSKLDPKSMUWAR-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
4-(4-Bromobenzyl)thiomorpholine
CID 785841
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
4-(3,5-Dibromobenzyl)thiomorpholine
CID 2805141
1-(3-Bromo-4-fluorobenzyl)-4-methylpiperazine
CID 765192
N-(3-bromo-4-fluorobenzyl)-N,1-dimethyl-4-piperidinamine
CID 2838199
2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 157292
4-(4-Bromo-benzyl)-thiomorpholine 1,1-dioxide
CID 52325468
4-(2-Fluorobenzyl)thiomorpholine
CID 785907
4-(4-Fluorobenzyl)thiomorpholine
CID 792708
4-(3-Bromobenzyl)thiomorpholine
CID 785876
4-Benzylthiomorpholine
CID 791137

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine (CID 792595) is 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine is Fc1ccc(CN2CCSCC2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine?
The InChIKey is HFSKLDPKSMUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNS/c12-10-7-9(1-2-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine?
4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine has a molecular weight of 290.20 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).