3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol

C10H10F3NOS — CID 144830569

IUPAC3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol
SMILESC=Nc1ccc(O)c(F)c1SCC(C)(F)F
InChIInChI=1S/C10H10F3NOS/c1-10(12,13)5-16-9-6(14-2)3-4-7(15)8(9)11/h3-4,15H,2,5H2,1H3
InChIKeyNKSOOMKDGCIDKQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.61
Rot. Bonds4

About 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol

3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol (PubChem CID 144830569) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol.

Molecular Properties

Compound Name3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol
PubChem CID144830569
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol
SMILESC=Nc1ccc(O)c(F)c1SCC(C)(F)F
InChIInChI=1S/C10H10F3NOS/c1-10(12,13)5-16-9-6(14-2)3-4-7(15)8(9)11/h3-4,15H,2,5H2,1H3
InChIKeyNKSOOMKDGCIDKQ-UHFFFAOYSA-N
XLogP3.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol?
The IUPAC name of 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol (CID 144830569) is 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol.
What is the SMILES notation for 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol?
The canonical SMILES for 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol is C=Nc1ccc(O)c(F)c1SCC(C)(F)F.
What is the InChIKey of 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol?
The InChIKey is NKSOOMKDGCIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-10(12,13)5-16-9-6(14-2)3-4-7(15)8(9)11/h3-4,15H,2,5H2,1H3.
What are the key properties of 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol?
3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol has a molecular weight of 249.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol is sourced from PubChem (CID 144830569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).