2-fluoro-5-pent-2-en-3-ylbenzaldehyde

C12H13FO — CID 76579095

IUPAC2-fluoro-5-pent-2-en-3-ylbenzaldehyde
SMILESCC=C(CC)c1ccc(F)c(C=O)c1
InChIInChI=1S/C12H13FO/c1-3-9(4-2)10-5-6-12(13)11(7-10)8-14/h3,5-8H,4H2,1-2H3
InChIKeyFWDLMPQKEFGOPJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.45
Rot. Bonds3

About 2-fluoro-5-pent-2-en-3-ylbenzaldehyde

2-fluoro-5-pent-2-en-3-ylbenzaldehyde (PubChem CID 76579095) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-fluoro-5-pent-2-en-3-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-pent-2-en-3-ylbenzaldehyde
PubChem CID76579095
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-fluoro-5-pent-2-en-3-ylbenzaldehyde
SMILESCC=C(CC)c1ccc(F)c(C=O)c1
InChIInChI=1S/C12H13FO/c1-3-9(4-2)10-5-6-12(13)11(7-10)8-14/h3,5-8H,4H2,1-2H3
InChIKeyFWDLMPQKEFGOPJ-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pent-2-en-3-ylbenzaldehyde?
The IUPAC name of 2-fluoro-5-pent-2-en-3-ylbenzaldehyde (CID 76579095) is 2-fluoro-5-pent-2-en-3-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-5-pent-2-en-3-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-5-pent-2-en-3-ylbenzaldehyde is CC=C(CC)c1ccc(F)c(C=O)c1.
What is the InChIKey of 2-fluoro-5-pent-2-en-3-ylbenzaldehyde?
The InChIKey is FWDLMPQKEFGOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-9(4-2)10-5-6-12(13)11(7-10)8-14/h3,5-8H,4H2,1-2H3.
What are the key properties of 2-fluoro-5-pent-2-en-3-ylbenzaldehyde?
2-fluoro-5-pent-2-en-3-ylbenzaldehyde has a molecular weight of 192.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pent-2-en-3-ylbenzaldehyde is sourced from PubChem (CID 76579095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).