3,3,3-trifluoro-2-methoxy-2-phenylpropanal

C10H9F3O2 — CID 14711966

IUPAC3,3,3-trifluoro-2-methoxy-2-phenylpropanal
SMILESCOC(C=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyUICQTAXBNAAHHX-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.29
Rot. Bonds3

About 3,3,3-trifluoro-2-methoxy-2-phenylpropanal

3,3,3-trifluoro-2-methoxy-2-phenylpropanal (PubChem CID 14711966) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxy-2-phenylpropanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxy-2-phenylpropanal
PubChem CID14711966
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3,3,3-trifluoro-2-methoxy-2-phenylpropanal
SMILESCOC(C=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyUICQTAXBNAAHHX-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.29
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

CID 86531
CID 86531
CID 2724611
CID 2724611
CID 3080792
CID 3080792
CID 344720
CID 344720
CID 604961
CID 604961
CID 2723917
CID 2723917
CID 6992788
CID 6992788
CID 14121778
CID 14121778
CID 13111189
CID 13111189
CID 10986836
CID 10986836
CID 13662207
CID 13662207
CID 2852508
CID 2852508

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxy-2-phenylpropanal?
The IUPAC name of 3,3,3-trifluoro-2-methoxy-2-phenylpropanal (CID 14711966) is 3,3,3-trifluoro-2-methoxy-2-phenylpropanal.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxy-2-phenylpropanal?
The canonical SMILES for 3,3,3-trifluoro-2-methoxy-2-phenylpropanal is COC(C=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxy-2-phenylpropanal?
The InChIKey is UICQTAXBNAAHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3,3,3-trifluoro-2-methoxy-2-phenylpropanal?
3,3,3-trifluoro-2-methoxy-2-phenylpropanal has a molecular weight of 218.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxy-2-phenylpropanal is sourced from PubChem (CID 14711966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).