N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide

C8H15F2NOS — CID 140762676

IUPACN-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C8H15F2NOS/c1-5-6(7(9)10)11-13(12)8(2,3)4/h5-7,11H,1H2,2-4H3
InChIKeyGYMFNAWWHMHOID-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.86
Rot. Bonds4

About N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide

N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 140762676) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID140762676
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC NameN-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C8H15F2NOS/c1-5-6(7(9)10)11-13(12)8(2,3)4/h5-7,11H,1H2,2-4H3
InChIKeyGYMFNAWWHMHOID-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
(S)-2-methyl-N-[(2S)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 11615546
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 140156780
(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-1-sulfinamide
CID 140188151
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607
(S)-2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 163278856
N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
CID 163278911

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide (CID 140762676) is N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide is C=CC(NS(=O)C(C)(C)C)C(F)F.
What is the InChIKey of N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is GYMFNAWWHMHOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c1-5-6(7(9)10)11-13(12)8(2,3)4/h5-7,11H,1H2,2-4H3.
What are the key properties of N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide?
N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 211.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).