(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal

C14H2F24O — CID 146171110

IUPAC(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal
SMILESO=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H2F24O/c15-3(1-2-39)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h1-2H/b3-1-
InChIKeyTWRHWDHUEHAXHU-IWQZZHSRSA-N
MW642.12 g/mol
LogP7.95
Rot. Bonds11

About (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal

(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal (PubChem CID 146171110) has the molecular formula C14H2F24O and a molecular weight of 642.12 g/mol. Its IUPAC name is (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal.

Molecular Properties

Compound Name(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal
PubChem CID146171110
Molecular FormulaC14H2F24O
Molecular Weight642.12 g/mol
Exact Mass641.97
IUPAC Name(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal
SMILESO=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H2F24O/c15-3(1-2-39)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h1-2H/b3-1-
InChIKeyTWRHWDHUEHAXHU-IWQZZHSRSA-N
XLogP7.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.12
LogP ≤ 57.95
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 (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal?
The IUPAC name of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal (CID 146171110) is (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal.
What is the SMILES notation for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal?
The canonical SMILES for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal is O=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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 (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal?
The InChIKey is TWRHWDHUEHAXHU-IWQZZHSRSA-N. The full InChI is InChI=1S/C14H2F24O/c15-3(1-2-39)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h1-2H/b3-1-.
What are the key properties of (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal?
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal has a molecular weight of 642.12 g/mol, XLogP of 7.95, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal is sourced from PubChem (CID 146171110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).