2-fluoropent-2-enal

C5H7FO — CID 54303006

IUPAC2-fluoropent-2-enal
SMILESCCC=C(F)C=O
InChIInChI=1S/C5H7FO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3
InChIKeySFODNYYPENIDIS-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.45
Rot. Bonds2

About 2-fluoropent-2-enal

2-fluoropent-2-enal (PubChem CID 54303006) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-fluoropent-2-enal.

Molecular Properties

Compound Name2-fluoropent-2-enal
PubChem CID54303006
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name2-fluoropent-2-enal
SMILESCCC=C(F)C=O
InChIInChI=1S/C5H7FO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3
InChIKeySFODNYYPENIDIS-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-2-Hexenal
CID 5281168
(E)-2-Pentenal
CID 5364752
Hexenal
CID 10460
2-Pentenal
CID 12993
2-Hexenal, (2Z)-
CID 6428782
(Z)-2-Pentenal
CID 12365893
2-Fluoropent-2-enal
CID 643015
(2Z)-2-fluorobut-2-enal
CID 643145
2-Fluorobut-2-enal
CID 54228963
(Z)-2-fluorooct-2-enal
CID 88084666
(E)-Hexa-2,5-dienal
CID 13442708
Hexa-2,5-dien-1-one
CID 53799150

Frequently Asked Questions

What is the IUPAC name of 2-fluoropent-2-enal?
The IUPAC name of 2-fluoropent-2-enal (CID 54303006) is 2-fluoropent-2-enal.
What is the SMILES notation for 2-fluoropent-2-enal?
The canonical SMILES for 2-fluoropent-2-enal is CCC=C(F)C=O.
What is the InChIKey of 2-fluoropent-2-enal?
The InChIKey is SFODNYYPENIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3.
What are the key properties of 2-fluoropent-2-enal?
2-fluoropent-2-enal has a molecular weight of 102.11 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropent-2-enal is sourced from PubChem (CID 54303006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).