3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde

C11H13FO3 — CID 112611562

IUPAC3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
SMILESCOCC(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C11H13FO3/c1-8(7-14-2)15-11-9(6-13)4-3-5-10(11)12/h3-6,8H,7H2,1-2H3
InChIKeyBQVBCGOHNCSOQS-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.05
Rot. Bonds5

About 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde

3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde (PubChem CID 112611562) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
PubChem CID112611562
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
SMILESCOCC(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C11H13FO3/c1-8(7-14-2)15-11-9(6-13)4-3-5-10(11)12/h3-6,8H,7H2,1-2H3
InChIKeyBQVBCGOHNCSOQS-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
CID 112610920
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
3-fluoro-2-pent-3-ynoxybenzaldehyde
CID 104807935
1,1-dimethoxyethane;2-fluorobenzaldehyde
CID 88679380
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde?
The IUPAC name of 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde (CID 112611562) is 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde is COCC(C)Oc1c(F)cccc1C=O.
What is the InChIKey of 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde?
The InChIKey is BQVBCGOHNCSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-8(7-14-2)15-11-9(6-13)4-3-5-10(11)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde?
3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde has a molecular weight of 212.22 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde is sourced from PubChem (CID 112611562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).