N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide

C10H17F2NO3S — CID 103514735

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
SMILESCCCCN(C(=O)C(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F2NO3S/c1-2-3-5-13(10(14)9(11)12)8-4-6-17(15,16)7-8/h8-9H,2-7H2,1H3
InChIKeyWMCJMEGKSROELE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.07
Rot. Bonds5

About N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide (PubChem CID 103514735) has the molecular formula C10H17F2NO3S and a molecular weight of 269.31 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
PubChem CID103514735
Molecular FormulaC10H17F2NO3S
Molecular Weight269.31 g/mol
Exact Mass269.09
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
SMILESCCCCN(C(=O)C(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F2NO3S/c1-2-3-5-13(10(14)9(11)12)8-4-6-17(15,16)7-8/h8-9H,2-7H2,1H3
InChIKeyWMCJMEGKSROELE-UHFFFAOYSA-N
XLogP1.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
(2S)-2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)pentanamide
CID 107568879
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
3-amino-4-[butyl-(1,1-dioxothiolan-3-yl)amino]-4-oxobutanoic acid
CID 64895917
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide
CID 106111983
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-3-phenylpropanamide
CID 119682487
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide (CID 103514735) is N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide is CCCCN(C(=O)C(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide?
The InChIKey is WMCJMEGKSROELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3S/c1-2-3-5-13(10(14)9(11)12)8-4-6-17(15,16)7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide has a molecular weight of 269.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103514735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).