1-but-1-en-2-yl-2,4-difluorobenzene

C10H10F2 — CID 57095622

IUPAC1-but-1-en-2-yl-2,4-difluorobenzene
SMILESC=C(CC)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-6H,2-3H2,1H3
InChIKeyZYEFZRMXMBFTHV-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.39
Rot. Bonds2

About 1-but-1-en-2-yl-2,4-difluorobenzene

1-but-1-en-2-yl-2,4-difluorobenzene (PubChem CID 57095622) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2,4-difluorobenzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-2,4-difluorobenzene
PubChem CID57095622
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-but-1-en-2-yl-2,4-difluorobenzene
SMILESC=C(CC)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-6H,2-3H2,1H3
InChIKeyZYEFZRMXMBFTHV-UHFFFAOYSA-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

2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
1-O-ethyl 3-O-methyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate
CID 121307550
[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
CID 15238264
5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
CID 154970163
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene
CID 177455013
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate
CID 11043813
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
CID 154969605

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2,4-difluorobenzene?
The IUPAC name of 1-but-1-en-2-yl-2,4-difluorobenzene (CID 57095622) is 1-but-1-en-2-yl-2,4-difluorobenzene.
What is the SMILES notation for 1-but-1-en-2-yl-2,4-difluorobenzene?
The canonical SMILES for 1-but-1-en-2-yl-2,4-difluorobenzene is C=C(CC)c1ccc(F)cc1F.
What is the InChIKey of 1-but-1-en-2-yl-2,4-difluorobenzene?
The InChIKey is ZYEFZRMXMBFTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-6H,2-3H2,1H3.
What are the key properties of 1-but-1-en-2-yl-2,4-difluorobenzene?
1-but-1-en-2-yl-2,4-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 1-but-1-en-2-yl-2,4-difluorobenzene is sourced from PubChem (CID 57095622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).