2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde

C12H14F2O — CID 105465847

IUPAC2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
SMILESCC(C)Cc1ccc(C(F)(F)C=O)cc1
InChIInChI=1S/C12H14F2O/c1-9(2)7-10-3-5-11(6-4-10)12(13,14)8-15/h3-6,8-9H,7H2,1-2H3
InChIKeyZMYFSSSHXNNXNH-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.18
Rot. Bonds4

About 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde

2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde (PubChem CID 105465847) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
PubChem CID105465847
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
SMILESCC(C)Cc1ccc(C(F)(F)C=O)cc1
InChIInChI=1S/C12H14F2O/c1-9(2)7-10-3-5-11(6-4-10)12(13,14)8-15/h3-6,8-9H,7H2,1-2H3
InChIKeyZMYFSSSHXNNXNH-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
CID 116841647
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 66204154
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
CID 139793494
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
formic acid;2-methylpropylbenzene
CID 162001374
bis(4-tert-butylphenyl)-[4-(2-methylpropyl)phenyl]sulfanium
CID 58260924

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde?
The IUPAC name of 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde (CID 105465847) is 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde is CC(C)Cc1ccc(C(F)(F)C=O)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde?
The InChIKey is ZMYFSSSHXNNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-9(2)7-10-3-5-11(6-4-10)12(13,14)8-15/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde?
2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde has a molecular weight of 212.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde is sourced from PubChem (CID 105465847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).