2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide

C7H14FNO2S — CID 126707951

IUPAC2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
SMILESCSC(C)[C@@H](CO)NC(=O)CF
InChIInChI=1S/C7H14FNO2S/c1-5(12-2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)/t5?,6-/m1/s1
InChIKeyCJHOBKRJOOAQBY-PRJDIBJQSA-N
MW195.26 g/mol
LogP0.18
Rot. Bonds5

About 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide

2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide (PubChem CID 126707951) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
PubChem CID126707951
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
SMILESCSC(C)[C@@H](CO)NC(=O)CF
InChIInChI=1S/C7H14FNO2S/c1-5(12-2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)/t5?,6-/m1/s1
InChIKeyCJHOBKRJOOAQBY-PRJDIBJQSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamido-2-hydroxytetrahydrothiophene
CID 194471
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide
CID 58388323
N-(3-fluoro-1-hydroxybutan-2-yl)acetamide
CID 139472485
N-Acetylmethioninol
CID 129647056
3,3,3-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801368
2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801501
2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103867173
2,2-difluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 107168143
N-(1-hydroxypropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886176
2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928434
2-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928552
2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 114151273

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide (CID 126707951) is 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide is CSC(C)[C@@H](CO)NC(=O)CF.
What is the InChIKey of 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
The InChIKey is CJHOBKRJOOAQBY-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-5(12-2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)/t5?,6-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide?
2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 126707951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).