formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal

C11H11F3O2 — CID 174932519

IUPACformaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
SMILESC=O.O=CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O.CH2O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2/h1,3,5-7H,2,4H2;1H2
InChIKeyYNIZIVMZHSOKAW-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.65
Rot. Bonds3

About formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal

formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal (PubChem CID 174932519) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Nameformaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
PubChem CID174932519
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Nameformaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
SMILESC=O.O=CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O.CH2O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2/h1,3,5-7H,2,4H2;1H2
InChIKeyYNIZIVMZHSOKAW-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.65
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

propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
2-[3-(trifluoromethyl)phenyl]ethyl formate
CID 87333633
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
CID 70677220
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
CID 158763688
3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid
CID 87844997

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal?
The IUPAC name of formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal (CID 174932519) is formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal is C=O.O=CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal?
The InChIKey is YNIZIVMZHSOKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O.CH2O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2/h1,3,5-7H,2,4H2;1H2.
What are the key properties of formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal?
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal has a molecular weight of 232.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 174932519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).