2-fluoro-5-prop-2-enoxybenzaldehyde

C10H9FO2 — CID 155393023

IUPAC2-fluoro-5-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(F)c(C=O)c1
InChIInChI=1S/C10H9FO2/c1-2-5-13-9-3-4-10(11)8(6-9)7-12/h2-4,6-7H,1,5H2
InChIKeyQFGWKGADILKDIS-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-5-prop-2-enoxybenzaldehyde

2-fluoro-5-prop-2-enoxybenzaldehyde (PubChem CID 155393023) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-fluoro-5-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-prop-2-enoxybenzaldehyde
PubChem CID155393023
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-5-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(F)c(C=O)c1
InChIInChI=1S/C10H9FO2/c1-2-5-13-9-3-4-10(11)8(6-9)7-12/h2-4,6-7H,1,5H2
InChIKeyQFGWKGADILKDIS-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 155798145
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
5-prop-2-enoxybenzene-1,3-dicarbaldehyde
CID 10750177
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
CID 139854596
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
2-fluoro-5-(sulfanylmethyl)benzaldehyde
CID 118424921

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-prop-2-enoxybenzaldehyde?
The IUPAC name of 2-fluoro-5-prop-2-enoxybenzaldehyde (CID 155393023) is 2-fluoro-5-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 2-fluoro-5-prop-2-enoxybenzaldehyde?
The canonical SMILES for 2-fluoro-5-prop-2-enoxybenzaldehyde is C=CCOc1ccc(F)c(C=O)c1.
What is the InChIKey of 2-fluoro-5-prop-2-enoxybenzaldehyde?
The InChIKey is QFGWKGADILKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-2-5-13-9-3-4-10(11)8(6-9)7-12/h2-4,6-7H,1,5H2.
What are the key properties of 2-fluoro-5-prop-2-enoxybenzaldehyde?
2-fluoro-5-prop-2-enoxybenzaldehyde has a molecular weight of 180.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 155393023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).