2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde

C9H7F3O2 — CID 105455901

IUPAC2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(F)cc1C(F)(F)C=O
InChIInChI=1S/C9H7F3O2/c1-14-8-3-2-6(10)4-7(8)9(11,12)5-13/h2-5H,1H3
InChIKeySQOWWVFHEMVGKJ-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.12
Rot. Bonds3

About 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde

2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde (PubChem CID 105455901) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
PubChem CID105455901
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(F)cc1C(F)(F)C=O
InChIInChI=1S/C9H7F3O2/c1-14-8-3-2-6(10)4-7(8)9(11,12)5-13/h2-5H,1H3
InChIKeySQOWWVFHEMVGKJ-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.12
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-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde (CID 105455901) is 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde is COc1ccc(F)cc1C(F)(F)C=O.
What is the InChIKey of 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde?
The InChIKey is SQOWWVFHEMVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-8-3-2-6(10)4-7(8)9(11,12)5-13/h2-5H,1H3.
What are the key properties of 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde?
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde has a molecular weight of 204.15 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 105455901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).