1-fluoro-2-methylbut-1-ene

C5H9F — CID 54170761

IUPAC1-fluoro-2-methylbut-1-ene
SMILESCCC(C)=CF
InChIInChI=1S/C5H9F/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyCVAGHOPBSLAOLN-UHFFFAOYSA-N
MW88.12 g/mol
LogP2.27
Rot. Bonds1

About 1-fluoro-2-methylbut-1-ene

1-fluoro-2-methylbut-1-ene (PubChem CID 54170761) has the molecular formula C5H9F and a molecular weight of 88.12 g/mol. Its IUPAC name is 1-fluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name1-fluoro-2-methylbut-1-ene
PubChem CID54170761
Molecular FormulaC5H9F
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name1-fluoro-2-methylbut-1-ene
SMILESCCC(C)=CF
InChIInChI=1S/C5H9F/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyCVAGHOPBSLAOLN-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbut-1-ene?
The IUPAC name of 1-fluoro-2-methylbut-1-ene (CID 54170761) is 1-fluoro-2-methylbut-1-ene.
What is the SMILES notation for 1-fluoro-2-methylbut-1-ene?
The canonical SMILES for 1-fluoro-2-methylbut-1-ene is CCC(C)=CF.
What is the InChIKey of 1-fluoro-2-methylbut-1-ene?
The InChIKey is CVAGHOPBSLAOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-3-5(2)4-6/h4H,3H2,1-2H3.
What are the key properties of 1-fluoro-2-methylbut-1-ene?
1-fluoro-2-methylbut-1-ene has a molecular weight of 88.12 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbut-1-ene is sourced from PubChem (CID 54170761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).