4-fluoropenta-1,2-diene

C5H7F — CID 57276800

IUPAC4-fluoropenta-1,2-diene
SMILESC=C=CC(C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h4-5H,1H2,2H3
InChIKeyWQSRJQCIOWWIDP-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.69
Rot. Bonds1

About 4-fluoropenta-1,2-diene

4-fluoropenta-1,2-diene (PubChem CID 57276800) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 4-fluoropenta-1,2-diene.

Molecular Properties

Compound Name4-fluoropenta-1,2-diene
PubChem CID57276800
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name4-fluoropenta-1,2-diene
SMILESC=C=CC(C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h4-5H,1H2,2H3
InChIKeyWQSRJQCIOWWIDP-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Fluoro-1-butene
CID 12756871
1,1-Difluorobut-1-ene
CID 2782310
3-Fluoro-1-butene
CID 10952622
Fluorobutene
CID 53929488
1,1-Difluoro-3-ethylallene
CID 57662812
(E)-1-Fluoro-1-butene
CID 12756872
(Z)-1-Fluoro-1-butene
CID 57139741
1,1,3-Trifluorobut-1-ene
CID 21096862
1-Fluoropenta-1,2-diene
CID 56629817
1-Fluoropenta-2,3-diene
CID 56631230
1-Fluorohexa-2,3-diene
CID 56635820
1-Fluorohexa-1,2-diene
CID 57158585

Frequently Asked Questions

What is the IUPAC name of 4-fluoropenta-1,2-diene?
The IUPAC name of 4-fluoropenta-1,2-diene (CID 57276800) is 4-fluoropenta-1,2-diene.
What is the SMILES notation for 4-fluoropenta-1,2-diene?
The canonical SMILES for 4-fluoropenta-1,2-diene is C=C=CC(C)F.
What is the InChIKey of 4-fluoropenta-1,2-diene?
The InChIKey is WQSRJQCIOWWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-4-5(2)6/h4-5H,1H2,2H3.
What are the key properties of 4-fluoropenta-1,2-diene?
4-fluoropenta-1,2-diene has a molecular weight of 86.11 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropenta-1,2-diene is sourced from PubChem (CID 57276800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).