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

C10H13F2NOS — CID 43345190

IUPAC1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NOS/c1-13-5-7(14)6-15-8-2-3-9(11)10(12)4-8/h2-4,7,13-14H,5-6H2,1H3
InChIKeyGXCPWGNDGRDJDY-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.64
Rot. Bonds5

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

1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol (PubChem CID 43345190) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
PubChem CID43345190
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NOS/c1-13-5-7(14)6-15-8-2-3-9(11)10(12)4-8/h2-4,7,13-14H,5-6H2,1H3
InChIKeyGXCPWGNDGRDJDY-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.64
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-(methylamino)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol (CID 43345190) is 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol is CNCC(O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
The InChIKey is GXCPWGNDGRDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-13-5-7(14)6-15-8-2-3-9(11)10(12)4-8/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
1-(3,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol has a molecular weight of 233.28 g/mol, XLogP of 1.64, 5 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-(methylamino)propan-2-ol is sourced from PubChem (CID 43345190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).