2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

C8H13F4NO2S — CID 103801078

IUPAC2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESO=C(NCCSCCCO)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c9-6(10)8(11,12)7(15)13-2-5-16-4-1-3-14/h6,14H,1-5H2,(H,13,15)
InChIKeyCGZASZKFCRDOJR-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.12
Rot. Bonds8

About 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (PubChem CID 103801078) has the molecular formula C8H13F4NO2S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
PubChem CID103801078
Molecular FormulaC8H13F4NO2S
Molecular Weight263.26 g/mol
Exact Mass263.06
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESO=C(NCCSCCCO)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c9-6(10)8(11,12)7(15)13-2-5-16-4-1-3-14/h6,14H,1-5H2,(H,13,15)
InChIKeyCGZASZKFCRDOJR-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43392461
2-(4-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65418381
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 65821499
2-(3-hydroxypropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66127206
2-(2,3-dihydroxypropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79681872
3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-butylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726454
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103767819
3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769666
2-butylsulfanyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769909
4,4,4-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanamide
CID 103800594

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (CID 103801078) is 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is O=C(NCCSCCCO)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The InChIKey is CGZASZKFCRDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2S/c9-6(10)8(11,12)7(15)13-2-5-16-4-1-3-14/h6,14H,1-5H2,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide has a molecular weight of 263.26 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 103801078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).