(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride

C10H9ClF2O2S — CID 82487103

IUPAC(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2O2S/c11-16(14,15)6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2/b3-1+
InChIKeyJYQGBYMXIYHEGL-HNQUOIGGSA-N
MW266.70 g/mol
LogP2.94
Rot. Bonds4

About (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride

(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride (PubChem CID 82487103) has the molecular formula C10H9ClF2O2S and a molecular weight of 266.70 g/mol. Its IUPAC name is (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
PubChem CID82487103
Molecular FormulaC10H9ClF2O2S
Molecular Weight266.70 g/mol
Exact Mass266.00
IUPAC Name(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2O2S/c11-16(14,15)6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2/b3-1+
InChIKeyJYQGBYMXIYHEGL-HNQUOIGGSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2,4-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487105
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
CID 82486545
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
CID 82473430
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
2-(4-chlorobut-1-enyl)-4-fluorobenzoic acid
CID 170499388
[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
CID 170499033

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride?
The IUPAC name of (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride (CID 82487103) is (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride is O=S(=O)(Cl)CC/C=C/c1cc(F)ccc1F.
What is the InChIKey of (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride?
The InChIKey is JYQGBYMXIYHEGL-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H9ClF2O2S/c11-16(14,15)6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2/b3-1+.
What are the key properties of (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride?
(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride has a molecular weight of 266.70 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride is sourced from PubChem (CID 82487103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).