(2R)-1,1-difluorohex-5-ene-2-sulfonamide

C6H11F2NO2S — CID 161414952

IUPAC(2R)-1,1-difluorohex-5-ene-2-sulfonamide
SMILESC=CCC[C@H](C(F)F)S(N)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-3-4-5(6(7)8)12(9,10)11/h2,5-6H,1,3-4H2,(H2,9,10,11)/t5-/m1/s1
InChIKeyXVPMOPAACAYOPX-RXMQYKEDSA-N
MW199.22 g/mol
LogP0.87
Rot. Bonds5

About (2R)-1,1-difluorohex-5-ene-2-sulfonamide

(2R)-1,1-difluorohex-5-ene-2-sulfonamide (PubChem CID 161414952) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is (2R)-1,1-difluorohex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R)-1,1-difluorohex-5-ene-2-sulfonamide
PubChem CID161414952
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name(2R)-1,1-difluorohex-5-ene-2-sulfonamide
SMILESC=CCC[C@H](C(F)F)S(N)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-3-4-5(6(7)8)12(9,10)11/h2,5-6H,1,3-4H2,(H2,9,10,11)/t5-/m1/s1
InChIKeyXVPMOPAACAYOPX-RXMQYKEDSA-N
XLogP0.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
methyl 2-sulfamoylhex-5-enoate
CID 130367736
6-bromo-5-methylsulfonylhept-1-ene
CID 11276859
2-methylhex-5-ene-3-sulfonamide
CID 130367234
pent-4-ene-1,1-disulfonic acid
CID 174949738
pent-4-ene-1-sulfonamide
CID 11788380
(3R)-1-benzylsulfonylhept-6-ene-3-sulfonamide
CID 158473868
2-but-3-enylhex-5-en-1-amine
CID 130382667
1,1-difluorohept-6-en-2-ylhydrazine
CID 105264991
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
CID 171229978
2-methylsulfonylhept-6-en-3-ylhydrazine
CID 105311583
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-difluorohex-5-ene-2-sulfonamide?
The IUPAC name of (2R)-1,1-difluorohex-5-ene-2-sulfonamide (CID 161414952) is (2R)-1,1-difluorohex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R)-1,1-difluorohex-5-ene-2-sulfonamide?
The canonical SMILES for (2R)-1,1-difluorohex-5-ene-2-sulfonamide is C=CCC[C@H](C(F)F)S(N)(=O)=O.
What is the InChIKey of (2R)-1,1-difluorohex-5-ene-2-sulfonamide?
The InChIKey is XVPMOPAACAYOPX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-2-3-4-5(6(7)8)12(9,10)11/h2,5-6H,1,3-4H2,(H2,9,10,11)/t5-/m1/s1.
What are the key properties of (2R)-1,1-difluorohex-5-ene-2-sulfonamide?
(2R)-1,1-difluorohex-5-ene-2-sulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-difluorohex-5-ene-2-sulfonamide is sourced from PubChem (CID 161414952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).