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

C10H10F2O2 — CID 54572596

IUPAC2,2-difluoro-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(CC(F)(F)C=O)cc1
InChIInChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)6-10(11,12)7-13/h2-5,7H,6H2,1H3
InChIKeyZYJGRYNFOCRQMA-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.07
Rot. Bonds4

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

2,2-difluoro-3-(4-methoxyphenyl)propanal (PubChem CID 54572596) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methoxyphenyl)propanal
PubChem CID54572596
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2,2-difluoro-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(CC(F)(F)C=O)cc1
InChIInChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)6-10(11,12)7-13/h2-5,7H,6H2,1H3
InChIKeyZYJGRYNFOCRQMA-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.07
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

1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
CID 42177102
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] methanesulfonate
CID 130404412
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
CID 105486503
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methoxyphenyl)propanal?
The IUPAC name of 2,2-difluoro-3-(4-methoxyphenyl)propanal (CID 54572596) is 2,2-difluoro-3-(4-methoxyphenyl)propanal.
What is the SMILES notation for 2,2-difluoro-3-(4-methoxyphenyl)propanal?
The canonical SMILES for 2,2-difluoro-3-(4-methoxyphenyl)propanal is COc1ccc(CC(F)(F)C=O)cc1.
What is the InChIKey of 2,2-difluoro-3-(4-methoxyphenyl)propanal?
The InChIKey is ZYJGRYNFOCRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)6-10(11,12)7-13/h2-5,7H,6H2,1H3.
What are the key properties of 2,2-difluoro-3-(4-methoxyphenyl)propanal?
2,2-difluoro-3-(4-methoxyphenyl)propanal has a molecular weight of 200.18 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methoxyphenyl)propanal is sourced from PubChem (CID 54572596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).