3-fluorobut-3-en-2-ylbenzene

C10H11F — CID 54351405

IUPAC3-fluorobut-3-en-2-ylbenzene
SMILESC=C(F)C(C)c1ccccc1
InChIInChI=1S/C10H11F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyUGALHIUYPPAKFE-UHFFFAOYSA-N
MW150.20 g/mol
LogP3.27
Rot. Bonds2

About 3-fluorobut-3-en-2-ylbenzene

3-fluorobut-3-en-2-ylbenzene (PubChem CID 54351405) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-fluorobut-3-en-2-ylbenzene.

Molecular Properties

Compound Name3-fluorobut-3-en-2-ylbenzene
PubChem CID54351405
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name3-fluorobut-3-en-2-ylbenzene
SMILESC=C(F)C(C)c1ccccc1
InChIInChI=1S/C10H11F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyUGALHIUYPPAKFE-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-phenylbut-1-en-2-ol
CID 89028601
[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321
(3R)-2-methylidene-1,3-diphenylbutan-1-one
CID 10014345
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
cumene;hydrogen peroxide
CID 21225480
2-fluorohept-1-en-3-ylbenzene
CID 102089822
potassium trifluoro(2-phenylpropanoyl)boranuide
CID 154711234
(1S)-1-phenylethanol
CID 157125626
azanium 2-phenylpropanoate
CID 146635852
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414

Frequently Asked Questions

What is the IUPAC name of 3-fluorobut-3-en-2-ylbenzene?
The IUPAC name of 3-fluorobut-3-en-2-ylbenzene (CID 54351405) is 3-fluorobut-3-en-2-ylbenzene.
What is the SMILES notation for 3-fluorobut-3-en-2-ylbenzene?
The canonical SMILES for 3-fluorobut-3-en-2-ylbenzene is C=C(F)C(C)c1ccccc1.
What is the InChIKey of 3-fluorobut-3-en-2-ylbenzene?
The InChIKey is UGALHIUYPPAKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,2H2,1H3.
What are the key properties of 3-fluorobut-3-en-2-ylbenzene?
3-fluorobut-3-en-2-ylbenzene has a molecular weight of 150.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-3-en-2-ylbenzene is sourced from PubChem (CID 54351405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).