1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol

C11H15F2NOS — CID 43345189

IUPAC1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NOS/c1-2-14-6-8(15)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyOWOCJTJASVNUGQ-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.03
Rot. Bonds6

About 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol

1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol (PubChem CID 43345189) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol
PubChem CID43345189
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NOS/c1-2-14-6-8(15)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyOWOCJTJASVNUGQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol (CID 43345189) is 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol is CCNCC(O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol?
The InChIKey is OWOCJTJASVNUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-14-6-8(15)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol?
1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol has a molecular weight of 247.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43345189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).