N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide

C9H17F2NOS — CID 22752139

IUPACN-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
SMILESCCCC(=O)NC(CCSC)C(F)F
InChIInChI=1S/C9H17F2NOS/c1-3-4-8(13)12-7(9(10)11)5-6-14-2/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCXUBIORVYXNHIM-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.29
Rot. Bonds7

About N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide

N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide (PubChem CID 22752139) has the molecular formula C9H17F2NOS and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
PubChem CID22752139
Molecular FormulaC9H17F2NOS
Molecular Weight225.30 g/mol
Exact Mass225.10
IUPAC NameN-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
SMILESCCCC(=O)NC(CCSC)C(F)F
InChIInChI=1S/C9H17F2NOS/c1-3-4-8(13)12-7(9(10)11)5-6-14-2/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCXUBIORVYXNHIM-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide?
The IUPAC name of N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide (CID 22752139) is N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide is CCCC(=O)NC(CCSC)C(F)F.
What is the InChIKey of N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide?
The InChIKey is CXUBIORVYXNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NOS/c1-3-4-8(13)12-7(9(10)11)5-6-14-2/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide?
N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide has a molecular weight of 225.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 22752139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).