(E)-6,6,6-trifluorohex-2-enal

C6H7F3O — CID 21273094

IUPAC(E)-6,6,6-trifluorohex-2-enal
SMILESO=C/C=C/CCC(F)(F)F
InChIInChI=1S/C6H7F3O/c7-6(8,9)4-2-1-3-5-10/h1,3,5H,2,4H2/b3-1+
InChIKeyOWYPEQNFJYUDHB-HNQUOIGGSA-N
MW152.12 g/mol
LogP2.08
Rot. Bonds3

About (E)-6,6,6-trifluorohex-2-enal

(E)-6,6,6-trifluorohex-2-enal (PubChem CID 21273094) has the molecular formula C6H7F3O and a molecular weight of 152.12 g/mol. Its IUPAC name is (E)-6,6,6-trifluorohex-2-enal.

Molecular Properties

Compound Name(E)-6,6,6-trifluorohex-2-enal
PubChem CID21273094
Molecular FormulaC6H7F3O
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Name(E)-6,6,6-trifluorohex-2-enal
SMILESO=C/C=C/CCC(F)(F)F
InChIInChI=1S/C6H7F3O/c7-6(8,9)4-2-1-3-5-10/h1,3,5H,2,4H2/b3-1+
InChIKeyOWYPEQNFJYUDHB-HNQUOIGGSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6,6-trifluorohex-2-enal?
The IUPAC name of (E)-6,6,6-trifluorohex-2-enal (CID 21273094) is (E)-6,6,6-trifluorohex-2-enal.
What is the SMILES notation for (E)-6,6,6-trifluorohex-2-enal?
The canonical SMILES for (E)-6,6,6-trifluorohex-2-enal is O=C/C=C/CCC(F)(F)F.
What is the InChIKey of (E)-6,6,6-trifluorohex-2-enal?
The InChIKey is OWYPEQNFJYUDHB-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H7F3O/c7-6(8,9)4-2-1-3-5-10/h1,3,5H,2,4H2/b3-1+.
What are the key properties of (E)-6,6,6-trifluorohex-2-enal?
(E)-6,6,6-trifluorohex-2-enal has a molecular weight of 152.12 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluorohex-2-enal is sourced from PubChem (CID 21273094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).