2,2-difluoro-3-(4-methylphenyl)propanal

C10H10F2O — CID 105440973

IUPAC2,2-difluoro-3-(4-methylphenyl)propanal
SMILESCc1ccc(CC(F)(F)C=O)cc1
InChIInChI=1S/C10H10F2O/c1-8-2-4-9(5-3-8)6-10(11,12)7-13/h2-5,7H,6H2,1H3
InChIKeySDUFXVXGKZRZAK-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.37
Rot. Bonds3

About 2,2-difluoro-3-(4-methylphenyl)propanal

2,2-difluoro-3-(4-methylphenyl)propanal (PubChem CID 105440973) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methylphenyl)propanal.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methylphenyl)propanal
PubChem CID105440973
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2,2-difluoro-3-(4-methylphenyl)propanal
SMILESCc1ccc(CC(F)(F)C=O)cc1
InChIInChI=1S/C10H10F2O/c1-8-2-4-9(5-3-8)6-10(11,12)7-13/h2-5,7H,6H2,1H3
InChIKeySDUFXVXGKZRZAK-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.37
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

2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
1-(2,2-difluoro-2-isocyanatoethyl)-4-methylbenzene
CID 105450438
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
3,3,3-trifluoro-2-[(4-methylphenyl)methyl]propanal
CID 115029432
2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105452062
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
1-[1-chloro-2-(chloromethyl)-3-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 79448356

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methylphenyl)propanal?
The IUPAC name of 2,2-difluoro-3-(4-methylphenyl)propanal (CID 105440973) is 2,2-difluoro-3-(4-methylphenyl)propanal.
What is the SMILES notation for 2,2-difluoro-3-(4-methylphenyl)propanal?
The canonical SMILES for 2,2-difluoro-3-(4-methylphenyl)propanal is Cc1ccc(CC(F)(F)C=O)cc1.
What is the InChIKey of 2,2-difluoro-3-(4-methylphenyl)propanal?
The InChIKey is SDUFXVXGKZRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-8-2-4-9(5-3-8)6-10(11,12)7-13/h2-5,7H,6H2,1H3.
What are the key properties of 2,2-difluoro-3-(4-methylphenyl)propanal?
2,2-difluoro-3-(4-methylphenyl)propanal has a molecular weight of 184.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methylphenyl)propanal is sourced from PubChem (CID 105440973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).