3-fluoro-2-prop-2-enoxybenzaldehyde

C10H9FO2 — CID 112611625

IUPAC3-fluoro-2-prop-2-enoxybenzaldehyde
SMILESC=CCOc1c(F)cccc1C=O
InChIInChI=1S/C10H9FO2/c1-2-6-13-10-8(7-12)4-3-5-9(10)11/h2-5,7H,1,6H2
InChIKeyRHBKBOKETXHXOL-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds4

About 3-fluoro-2-prop-2-enoxybenzaldehyde

3-fluoro-2-prop-2-enoxybenzaldehyde (PubChem CID 112611625) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-fluoro-2-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-prop-2-enoxybenzaldehyde
PubChem CID112611625
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name3-fluoro-2-prop-2-enoxybenzaldehyde
SMILESC=CCOc1c(F)cccc1C=O
InChIInChI=1S/C10H9FO2/c1-2-6-13-10-8(7-12)4-3-5-9(10)11/h2-5,7H,1,6H2
InChIKeyRHBKBOKETXHXOL-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

3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-fluoro-2-pent-3-ynoxybenzaldehyde
CID 104807935
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
2-(2-fluoro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955813
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
2-fluoro-5-prop-2-enoxybenzaldehyde
CID 155393023
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-fluoro-2-prop-2-enoxybenzaldehyde (CID 112611625) is 3-fluoro-2-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-fluoro-2-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-fluoro-2-prop-2-enoxybenzaldehyde is C=CCOc1c(F)cccc1C=O.
What is the InChIKey of 3-fluoro-2-prop-2-enoxybenzaldehyde?
The InChIKey is RHBKBOKETXHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-2-6-13-10-8(7-12)4-3-5-9(10)11/h2-5,7H,1,6H2.
What are the key properties of 3-fluoro-2-prop-2-enoxybenzaldehyde?
3-fluoro-2-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 3-fluoro-2-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 112611625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).