2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde

C9H8F2O2 — CID 105441968

IUPAC2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
SMILESCOc1cccc(C(F)(F)C=O)c1
InChIInChI=1S/C9H8F2O2/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-6H,1H3
InChIKeyUQWJCYWBUSLCCC-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde

2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde (PubChem CID 105441968) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
PubChem CID105441968
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
SMILESCOc1cccc(C(F)(F)C=O)c1
InChIInChI=1S/C9H8F2O2/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-6H,1H3
InChIKeyUQWJCYWBUSLCCC-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.99
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

2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
2-ethyl-2-(3-methoxyphenyl)butanal
CID 154306281
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde (CID 105441968) is 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde is COc1cccc(C(F)(F)C=O)c1.
What is the InChIKey of 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde?
The InChIKey is UQWJCYWBUSLCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-6H,1H3.
What are the key properties of 2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde?
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde has a molecular weight of 186.16 g/mol, XLogP of 1.99, 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-(3-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 105441968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).