2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal

C10H8F4O2 — CID 174601594

IUPAC2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
SMILESCC(C=O)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H8F4O2/c1-6(5-15)7-2-3-8(11)9(4-7)16-10(12,13)14/h2-6H,1H3
InChIKeyMYDONLFKGUGACH-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal

2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal (PubChem CID 174601594) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
PubChem CID174601594
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
SMILESCC(C=O)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H8F4O2/c1-6(5-15)7-2-3-8(11)9(4-7)16-10(12,13)14/h2-6H,1H3
InChIKeyMYDONLFKGUGACH-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.03
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-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]propan-2-one
CID 87669472
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-[4-(chloromethyl)-3-fluorophenyl]propanal
CID 134639738
1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
CID 143474858
2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
CID 21320569
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
(2S)-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-(propan-2-ylamino)pentan-3-one
CID 162561659
methyl (3S)-3-[(2-aminoacetyl)amino]-3-[4-fluoro-3-(trifluoromethoxy)phenyl]propanoate
CID 166849593
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
CID 21406797

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal (CID 174601594) is 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal is CC(C=O)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal?
The InChIKey is MYDONLFKGUGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c1-6(5-15)7-2-3-8(11)9(4-7)16-10(12,13)14/h2-6H,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal?
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal has a molecular weight of 236.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal is sourced from PubChem (CID 174601594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).