2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide

C7H13F2NOS — CID 103516049

IUPAC2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NOS/c1-5(3-4-12-2)10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyGVOOSNHUKCJZAN-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.51
Rot. Bonds5

About 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide

2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103516049) has the molecular formula C7H13F2NOS and a molecular weight of 197.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide
PubChem CID103516049
Molecular FormulaC7H13F2NOS
Molecular Weight197.25 g/mol
Exact Mass197.07
IUPAC Name2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NOS/c1-5(3-4-12-2)10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyGVOOSNHUKCJZAN-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,2-difluoroacetyl)amino]-4-methylsulfanylbutanoic acid
CID 103513482
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
CID 104864380
N-[1-(dimethylamino)propan-2-yl]-2,2-difluoroacetamide
CID 103515956
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
CID 97250851
(2S)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
CID 97250853
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
2-(tert-butylamino)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115637118

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide (CID 103516049) is 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide is CSCCC(C)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is GVOOSNHUKCJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NOS/c1-5(3-4-12-2)10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide?
2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 197.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103516049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).