3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine

C12H17ClFNOS — CID 113462373

IUPAC3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine
SMILESCC(F)(Cc1ccc(Cl)s1)CC1COCCN1
InChIInChI=1S/C12H17ClFNOS/c1-12(14,6-9-8-16-5-4-15-9)7-10-2-3-11(13)17-10/h2-3,9,15H,4-8H2,1H3
InChIKeyWUDCYXSVKKNBFM-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.05
Rot. Bonds4

About 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine

3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine (PubChem CID 113462373) has the molecular formula C12H17ClFNOS and a molecular weight of 277.79 g/mol. Its IUPAC name is 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine.

Molecular Properties

Compound Name3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine
PubChem CID113462373
Molecular FormulaC12H17ClFNOS
Molecular Weight277.79 g/mol
Exact Mass277.07
IUPAC Name3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine
SMILESCC(F)(Cc1ccc(Cl)s1)CC1COCCN1
InChIInChI=1S/C12H17ClFNOS/c1-12(14,6-9-8-16-5-4-15-9)7-10-2-3-11(13)17-10/h2-3,9,15H,4-8H2,1H3
InChIKeyWUDCYXSVKKNBFM-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The IUPAC name of 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine (CID 113462373) is 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine.
What is the SMILES notation for 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The canonical SMILES for 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine is CC(F)(Cc1ccc(Cl)s1)CC1COCCN1.
What is the InChIKey of 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The InChIKey is WUDCYXSVKKNBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNOS/c1-12(14,6-9-8-16-5-4-15-9)7-10-2-3-11(13)17-10/h2-3,9,15H,4-8H2,1H3.
What are the key properties of 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine?
3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine has a molecular weight of 277.79 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine is sourced from PubChem (CID 113462373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).