3-(2,5-difluorophenyl)sulfinyloxan-4-amine

C11H13F2NO2S — CID 64652060

IUPAC3-(2,5-difluorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO2S/c12-7-1-2-8(13)10(5-7)17(15)11-6-16-4-3-9(11)14/h1-2,5,9,11H,3-4,6,14H2
InChIKeySCHAFZAFTDYULX-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.19
Rot. Bonds2

About 3-(2,5-difluorophenyl)sulfinyloxan-4-amine

3-(2,5-difluorophenyl)sulfinyloxan-4-amine (PubChem CID 64652060) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfinyloxan-4-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfinyloxan-4-amine
PubChem CID64652060
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name3-(2,5-difluorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO2S/c12-7-1-2-8(13)10(5-7)17(15)11-6-16-4-3-9(11)14/h1-2,5,9,11H,3-4,6,14H2
InChIKeySCHAFZAFTDYULX-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfinyloxan-4-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfinyloxan-4-amine (CID 64652060) is 3-(2,5-difluorophenyl)sulfinyloxan-4-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfinyloxan-4-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfinyloxan-4-amine is NC1CCOCC1S(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfinyloxan-4-amine?
The InChIKey is SCHAFZAFTDYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-7-1-2-8(13)10(5-7)17(15)11-6-16-4-3-9(11)14/h1-2,5,9,11H,3-4,6,14H2.
What are the key properties of 3-(2,5-difluorophenyl)sulfinyloxan-4-amine?
3-(2,5-difluorophenyl)sulfinyloxan-4-amine has a molecular weight of 261.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfinyloxan-4-amine is sourced from PubChem (CID 64652060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).