(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal

C14H20F6O — CID 58896117

IUPAC(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal
SMILESCC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCCC=O
InChIInChI=1S/C14H20F6O/c1-11(2,7-4-5-10-21)8-6-9-12(3,13(15,16)17)14(18,19)20/h6,9-10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyVAOZTQMCERLGQP-TWGQIWQCSA-N
MW318.30 g/mol
LogP5.46
Rot. Bonds7

About (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal

(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal (PubChem CID 58896117) has the molecular formula C14H20F6O and a molecular weight of 318.30 g/mol. Its IUPAC name is (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal.

Molecular Properties

Compound Name(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal
PubChem CID58896117
Molecular FormulaC14H20F6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal
SMILESCC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCCC=O
InChIInChI=1S/C14H20F6O/c1-11(2,7-4-5-10-21)8-6-9-12(3,13(15,16)17)14(18,19)20/h6,9-10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyVAOZTQMCERLGQP-TWGQIWQCSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.30
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal?
The IUPAC name of (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal (CID 58896117) is (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal.
What is the SMILES notation for (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal?
The canonical SMILES for (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal is CC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCCC=O.
What is the InChIKey of (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal?
The InChIKey is VAOZTQMCERLGQP-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H20F6O/c1-11(2,7-4-5-10-21)8-6-9-12(3,13(15,16)17)14(18,19)20/h6,9-10H,4-5,7-8H2,1-3H3/b9-6-.
What are the key properties of (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal?
(Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal has a molecular weight of 318.30 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10,10,10-trifluoro-5,5,9-trimethyl-9-(trifluoromethyl)dec-7-enal is sourced from PubChem (CID 58896117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).