2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol

C10H13F2NOS — CID 107524370

IUPAC2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
SMILESNC(CSCCO)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NOS/c11-7-1-2-9(12)8(5-7)10(13)6-15-4-3-14/h1-2,5,10,14H,3-4,6,13H2
InChIKeyMCZXOQJDNLHFLD-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol

2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol (PubChem CID 107524370) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
PubChem CID107524370
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
SMILESNC(CSCCO)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NOS/c11-7-1-2-9(12)8(5-7)10(13)6-15-4-3-14/h1-2,5,10,14H,3-4,6,13H2
InChIKeyMCZXOQJDNLHFLD-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylpropan-1-ol
CID 107525347
1-(2,5-difluorophenyl)-2-pentylsulfanylethanamine
CID 107763082
2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525314
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
CID 61035614

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol?
The IUPAC name of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol (CID 107524370) is 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol.
What is the SMILES notation for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol?
The canonical SMILES for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol is NC(CSCCO)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol?
The InChIKey is MCZXOQJDNLHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c11-7-1-2-9(12)8(5-7)10(13)6-15-4-3-14/h1-2,5,10,14H,3-4,6,13H2.
What are the key properties of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol?
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol has a molecular weight of 233.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol is sourced from PubChem (CID 107524370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).