2-(3-chloro-4-fluorophenyl)thiomorpholine

C10H11ClFNS — CID 82649796

IUPAC2-(3-chloro-4-fluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)cc1Cl
InChIInChI=1S/C10H11ClFNS/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
InChIKeyJAQNVTACNIGQRM-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.86
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)thiomorpholine

2-(3-chloro-4-fluorophenyl)thiomorpholine (PubChem CID 82649796) has the molecular formula C10H11ClFNS and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)thiomorpholine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)thiomorpholine
PubChem CID82649796
Molecular FormulaC10H11ClFNS
Molecular Weight231.72 g/mol
Exact Mass231.03
IUPAC Name2-(3-chloro-4-fluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)cc1Cl
InChIInChI=1S/C10H11ClFNS/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
InChIKeyJAQNVTACNIGQRM-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)thiomorpholine
CID 82300236
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
(7S)-7-(3-chlorophenyl)-1,4-thiazepane
CID 97102826
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 81165826
3-(3-chloro-4-fluorophenyl)-7-methyl-1,4-thiazepane
CID 66226046
[7-(3-chloro-4-fluorophenyl)-1,4-oxazepan-6-yl]methanol;hydrochloride
CID 66976642
2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine
CID 43366861
2-[4-(2-methylpropoxy)phenyl]thiomorpholine
CID 82297938
(7S)-7-(2,5-difluorophenyl)-1,4-thiazepane
CID 124680748
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
2-(5-fluoro-2-methoxyphenyl)thiomorpholine
CID 82081138
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)thiomorpholine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)thiomorpholine (CID 82649796) is 2-(3-chloro-4-fluorophenyl)thiomorpholine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)thiomorpholine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)thiomorpholine is Fc1ccc(C2CNCCS2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)thiomorpholine?
The InChIKey is JAQNVTACNIGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNS/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)thiomorpholine?
2-(3-chloro-4-fluorophenyl)thiomorpholine has a molecular weight of 231.72 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)thiomorpholine is sourced from PubChem (CID 82649796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).