2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde

C11H12F2O2 — CID 105467397

IUPAC2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
SMILESCC(C)Oc1cccc(C(F)(F)C=O)c1
InChIInChI=1S/C11H12F2O2/c1-8(2)15-10-5-3-4-9(6-10)11(12,13)7-14/h3-8H,1-2H3
InChIKeyQFHHJSMLNJAOQL-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.76
Rot. Bonds4

About 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde

2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde (PubChem CID 105467397) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
PubChem CID105467397
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
SMILESCC(C)Oc1cccc(C(F)(F)C=O)c1
InChIInChI=1S/C11H12F2O2/c1-8(2)15-10-5-3-4-9(6-10)11(12,13)7-14/h3-8H,1-2H3
InChIKeyQFHHJSMLNJAOQL-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.76
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-methoxyphenyl)acetaldehyde
CID 105441968
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 70618728
4-[1-hydroxy-1-(3-propan-2-yloxyphenyl)ethyl]benzonitrile
CID 115481663
2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde (CID 105467397) is 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde is CC(C)Oc1cccc(C(F)(F)C=O)c1.
What is the InChIKey of 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde?
The InChIKey is QFHHJSMLNJAOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-8(2)15-10-5-3-4-9(6-10)11(12,13)7-14/h3-8H,1-2H3.
What are the key properties of 2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde?
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde has a molecular weight of 214.21 g/mol, XLogP of 2.76, 4 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-propan-2-yloxyphenyl)acetaldehyde is sourced from PubChem (CID 105467397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).