N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide

C6H10F7NOS — CID 102129744

IUPACN,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide
SMILESCCN(CC)C(=O)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C6H10F7NOS/c1-3-14(4-2)5(15)6(7,8)16(9,10,11,12)13/h3-4H2,1-2H3
InChIKeyBBVQXJRYVZUXOL-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.75
Rot. Bonds4

About N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide

N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide (PubChem CID 102129744) has the molecular formula C6H10F7NOS and a molecular weight of 277.20 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide
PubChem CID102129744
Molecular FormulaC6H10F7NOS
Molecular Weight277.20 g/mol
Exact Mass277.04
IUPAC NameN,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide
SMILESCCN(CC)C(=O)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C6H10F7NOS/c1-3-14(4-2)5(15)6(7,8)16(9,10,11,12)13/h3-4H2,1-2H3
InChIKeyBBVQXJRYVZUXOL-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl fluoride
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide (CID 102129744) is N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide is CCN(CC)C(=O)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide?
The InChIKey is BBVQXJRYVZUXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F7NOS/c1-3-14(4-2)5(15)6(7,8)16(9,10,11,12)13/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide?
N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide has a molecular weight of 277.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide is sourced from PubChem (CID 102129744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).