2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride

C4H6F3NO3S — CID 123507326

IUPAC2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
SMILESCCNC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H6F3NO3S/c1-2-8-3(9)4(5,6)12(7,10)11/h2H2,1H3,(H,8,9)
InChIKeyICXPFHRPMPVLJP-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.01
Rot. Bonds3

About 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride

2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride (PubChem CID 123507326) has the molecular formula C4H6F3NO3S and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
PubChem CID123507326
Molecular FormulaC4H6F3NO3S
Molecular Weight205.16 g/mol
Exact Mass205.00
IUPAC Name2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
SMILESCCNC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H6F3NO3S/c1-2-8-3(9)4(5,6)12(7,10)11/h2H2,1H3,(H,8,9)
InChIKeyICXPFHRPMPVLJP-UHFFFAOYSA-N
XLogP0.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride?
The IUPAC name of 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride (CID 123507326) is 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride.
What is the SMILES notation for 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride?
The canonical SMILES for 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride is CCNC(=O)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride?
The InChIKey is ICXPFHRPMPVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO3S/c1-2-8-3(9)4(5,6)12(7,10)11/h2H2,1H3,(H,8,9).
What are the key properties of 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride?
2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride has a molecular weight of 205.16 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride is sourced from PubChem (CID 123507326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).