2-fluoro-4-prop-1-en-2-ylbenzaldehyde

C10H9FO — CID 88914678

IUPAC2-fluoro-4-prop-1-en-2-ylbenzaldehyde
SMILESC=C(C)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H9FO/c1-7(2)8-3-4-9(6-12)10(11)5-8/h3-6H,1H2,2H3
InChIKeySWLYXBTYZDJOSX-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.67
Rot. Bonds2

About 2-fluoro-4-prop-1-en-2-ylbenzaldehyde

2-fluoro-4-prop-1-en-2-ylbenzaldehyde (PubChem CID 88914678) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-4-prop-1-en-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-prop-1-en-2-ylbenzaldehyde
PubChem CID88914678
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name2-fluoro-4-prop-1-en-2-ylbenzaldehyde
SMILESC=C(C)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H9FO/c1-7(2)8-3-4-9(6-12)10(11)5-8/h3-6H,1H2,2H3
InChIKeySWLYXBTYZDJOSX-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.67
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-4-prop-1-en-2-ylbenzaldehyde?
The IUPAC name of 2-fluoro-4-prop-1-en-2-ylbenzaldehyde (CID 88914678) is 2-fluoro-4-prop-1-en-2-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-4-prop-1-en-2-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-4-prop-1-en-2-ylbenzaldehyde is C=C(C)c1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-prop-1-en-2-ylbenzaldehyde?
The InChIKey is SWLYXBTYZDJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-7(2)8-3-4-9(6-12)10(11)5-8/h3-6H,1H2,2H3.
What are the key properties of 2-fluoro-4-prop-1-en-2-ylbenzaldehyde?
2-fluoro-4-prop-1-en-2-ylbenzaldehyde has a molecular weight of 164.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-prop-1-en-2-ylbenzaldehyde is sourced from PubChem (CID 88914678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).