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

C10H10F2O — CID 105440977

IUPAC3,3-difluoro-3-(3-methylphenyl)propanal
SMILESCc1cccc(C(F)(F)CC=O)c1
InChIInChI=1S/C10H10F2O/c1-8-3-2-4-9(7-8)10(11,12)5-6-13/h2-4,6-7H,5H2,1H3
InChIKeyZMLUUKYUPKOTDI-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.68
Rot. Bonds3

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

3,3-difluoro-3-(3-methylphenyl)propanal (PubChem CID 105440977) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 3,3-difluoro-3-(3-methylphenyl)propanal.

Molecular Properties

Compound Name3,3-difluoro-3-(3-methylphenyl)propanal
PubChem CID105440977
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3,3-difluoro-3-(3-methylphenyl)propanal
SMILESCc1cccc(C(F)(F)CC=O)c1
InChIInChI=1S/C10H10F2O/c1-8-3-2-4-9(7-8)10(11,12)5-6-13/h2-4,6-7H,5H2,1H3
InChIKeyZMLUUKYUPKOTDI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
3,3-difluoro-3-[3-methoxy-4-(4-methylphenyl)phenyl]propanal
CID 142387203
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 58193383
4,4,4-trifluoro-3-(3-methylphenyl)butanal
CID 115029435
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(3-methylphenyl)propanal?
The IUPAC name of 3,3-difluoro-3-(3-methylphenyl)propanal (CID 105440977) is 3,3-difluoro-3-(3-methylphenyl)propanal.
What is the SMILES notation for 3,3-difluoro-3-(3-methylphenyl)propanal?
The canonical SMILES for 3,3-difluoro-3-(3-methylphenyl)propanal is Cc1cccc(C(F)(F)CC=O)c1.
What is the InChIKey of 3,3-difluoro-3-(3-methylphenyl)propanal?
The InChIKey is ZMLUUKYUPKOTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-8-3-2-4-9(7-8)10(11,12)5-6-13/h2-4,6-7H,5H2,1H3.
What are the key properties of 3,3-difluoro-3-(3-methylphenyl)propanal?
3,3-difluoro-3-(3-methylphenyl)propanal has a molecular weight of 184.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(3-methylphenyl)propanal is sourced from PubChem (CID 105440977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).