3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal

C10H8F4O — CID 105475142

IUPAC3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
SMILESO=CCC(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-9(5-6-15)7-3-1-2-4-8(7)10(12,13)14/h1-4,6,9H,5H2
InChIKeyPVBFLORDSXZGSW-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.31
Rot. Bonds3

About 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal

3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal (PubChem CID 105475142) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
PubChem CID105475142
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
SMILESO=CCC(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-9(5-6-15)7-3-1-2-4-8(7)10(12,13)14/h1-4,6,9H,5H2
InChIKeyPVBFLORDSXZGSW-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.31
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-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 125464734
2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
CID 105475140
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The IUPAC name of 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal (CID 105475142) is 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal is O=CCC(F)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The InChIKey is PVBFLORDSXZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-9(5-6-15)7-3-1-2-4-8(7)10(12,13)14/h1-4,6,9H,5H2.
What are the key properties of 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal has a molecular weight of 220.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 105475142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).