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

C11H15F2NOS — CID 63071409

IUPAC3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyHVNRWRBEWVOJJW-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.42
Rot. Bonds6

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

3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine (PubChem CID 63071409) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
PubChem CID63071409
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyHVNRWRBEWVOJJW-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.42
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)sulfanyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine (CID 63071409) is 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine is CCOC(CN)CSc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The InChIKey is HVNRWRBEWVOJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-5-8(12)3-4-10(11)13/h3-5,9H,2,6-7,14H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.42, 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)sulfanyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 63071409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).