N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide

C7H13F2NO2S — CID 103769619

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12)
InChIKeyLCOVDYPWJASFIB-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.48
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide (PubChem CID 103769619) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
PubChem CID103769619
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12)
InChIKeyLCOVDYPWJASFIB-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide (CID 103769619) is N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
The InChIKey is LCOVDYPWJASFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13-3-2-6(12)10-4-5(11)7(8)9/h5,7,11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide has a molecular weight of 213.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 103769619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).