(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene

C18H24F4O — CID 144809530

IUPAC(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
SMILESC=CC(F)(F)C(F)(F)C(=C)C(=C)/C=C\C(=C)C(C)OCC(C)C
InChIInChI=1S/C18H24F4O/c1-8-17(19,20)18(21,22)15(6)13(4)9-10-14(5)16(7)23-11-12(2)3/h8-10,12,16H,1,4-6,11H2,2-3,7H3/b10-9-
InChIKeyVQVLMUIUAHTVBZ-KTKRTIGZSA-N
MW332.38 g/mol
LogP5.73
Rot. Bonds10

About (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene

(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene (PubChem CID 144809530) has the molecular formula C18H24F4O and a molecular weight of 332.38 g/mol. Its IUPAC name is (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene.

Molecular Properties

Compound Name(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
PubChem CID144809530
Molecular FormulaC18H24F4O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
SMILESC=CC(F)(F)C(F)(F)C(=C)C(=C)/C=C\C(=C)C(C)OCC(C)C
InChIInChI=1S/C18H24F4O/c1-8-17(19,20)18(21,22)15(6)13(4)9-10-14(5)16(7)23-11-12(2)3/h8-10,12,16H,1,4-6,11H2,2-3,7H3/b10-9-
InChIKeyVQVLMUIUAHTVBZ-KTKRTIGZSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1E)-1-fluoro-3-[(2Z,4Z)-1,1,3-trifluoro-2,5-dimethylhepta-2,4,6-trienoxy]buta-1,3-dienyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 89259538
8-Ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene
CID 123385435
6,6,7,7,8,8,9,9,9-Nonafluoro-4-[(4,4,5,5,6,6,7,7,7-nonafluoro-2-prop-1-enylhept-2-enoxy)methyl]nona-2,4-diene
CID 139761691
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Heptadecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-prop-1-enylundec-2-enoxy)methyl]trideca-2,4-diene
CID 139761693
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene
CID 139761694
4-[(1R)-1-methoxyethyl]-2,7-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 142807965
3-[[(3E,5E)-4,6-difluoro-5-methylocta-3,5-dien-2-yl]oxy-difluoromethyl]-2,4-difluoro-7-methylcyclohepta-1,3,5-triene
CID 143238963
(E)-1,1,1,5-tetrafluoro-4,7-dimethylidene-8-(2-methylpropoxy)non-5-en-2-yne
CID 143727025
(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene
CID 143772360
(3Z,7Z,11E)-3,4,12-trifluoro-2-methoxy-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
CID 143772381
(3Z,7Z,11Z)-2-but-3-enoxy-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
CID 143772427
(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-6,9,10,13,14,17-hexamethylidene-18-(2-methylpropoxy)nonadeca-2,7,11,15-tetraene
CID 143772467

Frequently Asked Questions

What is the IUPAC name of (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?
The IUPAC name of (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene (CID 144809530) is (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene.
What is the SMILES notation for (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?
The canonical SMILES for (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene is C=CC(F)(F)C(F)(F)C(=C)C(=C)/C=C\C(=C)C(C)OCC(C)C.
What is the InChIKey of (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?
The InChIKey is VQVLMUIUAHTVBZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H24F4O/c1-8-17(19,20)18(21,22)15(6)13(4)9-10-14(5)16(7)23-11-12(2)3/h8-10,12,16H,1,4-6,11H2,2-3,7H3/b10-9-.
What are the key properties of (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?
(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene has a molecular weight of 332.38 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene is sourced from PubChem (CID 144809530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).