5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde

C12H13FO2 — CID 91619201

IUPAC5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1ccc(F)cc1C=O
InChIInChI=1S/C12H13FO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-5,7-8H,6H2,1-2H3
InChIKeyWMVHAHCFIUBSHJ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.98
Rot. Bonds4

About 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde

5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde (PubChem CID 91619201) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
PubChem CID91619201
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1ccc(F)cc1C=O
InChIInChI=1S/C12H13FO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-5,7-8H,6H2,1-2H3
InChIKeyWMVHAHCFIUBSHJ-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.98
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

5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
CID 63325352
3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
5-fluoro-2-pent-4-ynoxybenzaldehyde
CID 107697828
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697457
3-fluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82921786
4-formyl-3-(3-methylbut-2-enoxy)benzonitrile
CID 101239651
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde?
The IUPAC name of 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde (CID 91619201) is 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde is CC(C)=CCOc1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde?
The InChIKey is WMVHAHCFIUBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde?
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde has a molecular weight of 208.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde is sourced from PubChem (CID 91619201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).