3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine

C11H15F2NO2S — CID 81328146

IUPAC3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-16-9(6-14)7-17(15)11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyFBBDCZUGAXOFHX-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.44
Rot. Bonds6

About 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine

3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine (PubChem CID 81328146) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
PubChem CID81328146
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-16-9(6-14)7-17(15)11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyFBBDCZUGAXOFHX-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
4-(3,4-difluorophenyl)sulfinyl-2-ethoxybutan-1-amine
CID 81328252
2-(2,5-difluorophenyl)sulfinylacetaldehyde
CID 66223483
3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 113318192
3-[(4-chlorophenyl)methylsulfinyl]-2-ethoxypropan-1-amine
CID 114792883
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
2-ethoxy-3-(4-methylsulfonylphenyl)sulfinylpropan-1-amine
CID 81333630
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
3-[(2,5-difluorophenyl)sulfinylmethyl]-4-ethoxyaniline
CID 61288253
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine (CID 81328146) is 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The InChIKey is FBBDCZUGAXOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-2-16-9(6-14)7-17(15)11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine?
3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 81328146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).