2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde

C10H11FO2 — CID 83876007

IUPAC2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
SMILESCOCc1ccc(F)cc1CC=O
InChIInChI=1S/C10H11FO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,5-6H,4,7H2,1H3
InChIKeyBQBLEAXODASKFQ-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.71
Rot. Bonds4

About 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde

2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde (PubChem CID 83876007) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
PubChem CID83876007
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
SMILESCOCc1ccc(F)cc1CC=O
InChIInChI=1S/C10H11FO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,5-6H,4,7H2,1H3
InChIKeyBQBLEAXODASKFQ-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]acetaldehyde
CID 83885042
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-(5-fluoro-2-sulfanylphenyl)acetaldehyde
CID 87632015
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde (CID 83876007) is 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde is COCc1ccc(F)cc1CC=O.
What is the InChIKey of 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde?
The InChIKey is BQBLEAXODASKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde?
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde has a molecular weight of 182.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde is sourced from PubChem (CID 83876007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).