2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C8H13F4NO2S — CID 103867173

IUPAC2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c1-4(5(3-14)16-2)13-7(15)8(11,12)6(9)10/h4-6,14H,3H2,1-2H3,(H,13,15)
InChIKeyKWODHTWKYDONPR-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.12
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 103867173) has the molecular formula C8H13F4NO2S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID103867173
Molecular FormulaC8H13F4NO2S
Molecular Weight263.26 g/mol
Exact Mass263.06
IUPAC Name2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c1-4(5(3-14)16-2)13-7(15)8(11,12)6(9)10/h4-6,14H,3H2,1-2H3,(H,13,15)
InChIKeyKWODHTWKYDONPR-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 126707951
2-(4-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65418381
4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
CID 71914582
4,4,4-trifluoro-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068881
4,4,4-trifluoro-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068882
4,4,4-trifluoro-N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068883
4,4,4-trifluoro-N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068884
3-(2,2-difluoroethoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103525150
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103799045
3,3,3-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103800783
2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103801078
3,3,3-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801368

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 103867173) is 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CSC(CO)C(C)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is KWODHTWKYDONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2S/c1-4(5(3-14)16-2)13-7(15)8(11,12)6(9)10/h4-6,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 263.26 g/mol, XLogP of 1.12, 6 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-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 103867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).