(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal

C10H3F15O — CID 165362592

IUPAC(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal
SMILESO=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H/b2-1+
InChIKeyKMPQUCAHSGTSIB-OWOJBTEDSA-N
MW424.10 g/mol
LogP5.12
Rot. Bonds7

About (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal

(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal (PubChem CID 165362592) has the molecular formula C10H3F15O and a molecular weight of 424.10 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal
PubChem CID165362592
Molecular FormulaC10H3F15O
Molecular Weight424.10 g/mol
Exact Mass423.99
IUPAC Name(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal
SMILESO=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H/b2-1+
InChIKeyKMPQUCAHSGTSIB-OWOJBTEDSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.10
LogP ≤ 55.12
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal?
The IUPAC name of (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal (CID 165362592) is (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal.
What is the SMILES notation for (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal?
The canonical SMILES for (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal is O=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal?
The InChIKey is KMPQUCAHSGTSIB-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H3F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H/b2-1+.
What are the key properties of (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal?
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal has a molecular weight of 424.10 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal is sourced from PubChem (CID 165362592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).