4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine

C14H16FNOS — CID 135044780

IUPAC4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine
SMILESFC1=C(CN2CCOCC2)c2ccccc2SC1
InChIInChI=1S/C14H16FNOS/c15-13-10-18-14-4-2-1-3-11(14)12(13)9-16-5-7-17-8-6-16/h1-4H,5-10H2
InChIKeyAVWUUBPWLVPXBD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.81
Rot. Bonds2

About 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine

4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine (PubChem CID 135044780) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine
PubChem CID135044780
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine
SMILESFC1=C(CN2CCOCC2)c2ccccc2SC1
InChIInChI=1S/C14H16FNOS/c15-13-10-18-14-4-2-1-3-11(14)12(13)9-16-5-7-17-8-6-16/h1-4H,5-10H2
InChIKeyAVWUUBPWLVPXBD-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine?
The IUPAC name of 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine (CID 135044780) is 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine is FC1=C(CN2CCOCC2)c2ccccc2SC1.
What is the InChIKey of 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine?
The InChIKey is AVWUUBPWLVPXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-13-10-18-14-4-2-1-3-11(14)12(13)9-16-5-7-17-8-6-16/h1-4H,5-10H2.
What are the key properties of 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine?
4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine has a molecular weight of 265.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine is sourced from PubChem (CID 135044780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).