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

C10H8F4O — CID 70677220

IUPAC(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
SMILESO=C[C@H](F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c11-9(6-15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyMGWCLKCIHGDYCS-SECBINFHSA-N
MW220.17 g/mol
LogP2.78
Rot. Bonds3

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

(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal (PubChem CID 70677220) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
PubChem CID70677220
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
SMILESO=C[C@H](F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c11-9(6-15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyMGWCLKCIHGDYCS-SECBINFHSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
(2R,3S)-4,4-dimethoxy-3-(nitromethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]butanal
CID 124677183
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal?
The IUPAC name of (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal (CID 70677220) is (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal is O=C[C@H](F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal?
The InChIKey is MGWCLKCIHGDYCS-SECBINFHSA-N. The full InChI is InChI=1S/C10H8F4O/c11-9(6-15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,6,9H,5H2/t9-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal?
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal has a molecular weight of 220.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 70677220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).