2-[(E)-but-1-enyl]-1,4-difluorobenzene

C10H10F2 — CID 58787158

IUPAC2-[(E)-but-1-enyl]-1,4-difluorobenzene
SMILESCC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H10F2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7H,2H2,1H3/b4-3+
InChIKeyYMMQWSLYKNUATH-ONEGZZNKSA-N
MW168.19 g/mol
LogP3.39
Rot. Bonds2

About 2-[(E)-but-1-enyl]-1,4-difluorobenzene

2-[(E)-but-1-enyl]-1,4-difluorobenzene (PubChem CID 58787158) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-1,4-difluorobenzene
PubChem CID58787158
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-[(E)-but-1-enyl]-1,4-difluorobenzene
SMILESCC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H10F2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7H,2H2,1H3/b4-3+
InChIKeyYMMQWSLYKNUATH-ONEGZZNKSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
2-but-1-enyl-1-ethyl-4-fluorobenzene
CID 162284345
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
CID 82473430
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487103
2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol
CID 141136392
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(E)-but-1-enyl]-1,4-difluorobenzene (CID 58787158) is 2-[(E)-but-1-enyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(E)-but-1-enyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(E)-but-1-enyl]-1,4-difluorobenzene is CC/C=C/c1cc(F)ccc1F.
What is the InChIKey of 2-[(E)-but-1-enyl]-1,4-difluorobenzene?
The InChIKey is YMMQWSLYKNUATH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10F2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7H,2H2,1H3/b4-3+.
What are the key properties of 2-[(E)-but-1-enyl]-1,4-difluorobenzene?
2-[(E)-but-1-enyl]-1,4-difluorobenzene has a molecular weight of 168.19 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-1,4-difluorobenzene is sourced from PubChem (CID 58787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).