3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene

C14H22F4O — CID 144809465

IUPAC3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
SMILESC=C(OC)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C14H22F4O/c1-9(2)7-8-10(3)11(4)13(15,16)14(17,18)12(5)19-6/h9-10H,4-5,7-8H2,1-3,6H3
InChIKeyJGQQGWAYLSFFON-UHFFFAOYSA-N
MW282.32 g/mol
LogP5.05
Rot. Bonds8

About 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene

3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene (PubChem CID 144809465) has the molecular formula C14H22F4O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
PubChem CID144809465
Molecular FormulaC14H22F4O
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
SMILESC=C(OC)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C14H22F4O/c1-9(2)7-8-10(3)11(4)13(15,16)14(17,18)12(5)19-6/h9-10H,4-5,7-8H2,1-3,6H3
InChIKeyJGQQGWAYLSFFON-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
1-(1-Butoxyethenyl)-4-(2,2,3,3,3-pentafluoropropyl)cyclohexane
CID 117746158
3-Ethyl-7,7,7-trifluoro-6-methyl-2-prop-1-en-2-yloxyhept-1-ene
CID 139572162
Ethene;3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
CID 144809464
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
CID 144809473
2,5-Dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
CID 144809476
2-Methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
CID 144809541
1-(3,6-Dimethylheptan-2-yloxy)-4,4,5,5-tetrafluoro-2,7,10-trimethyl-3,6-dimethylideneundecane
CID 144809571
(4R)-5,5-difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169849120
6,6-Difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169851658
2-(2,2-Difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane
CID 170233223
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
CID 144809474

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene (CID 144809465) is 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene is C=C(OC)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)C.
What is the InChIKey of 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene?
The InChIKey is JGQQGWAYLSFFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O/c1-9(2)7-8-10(3)11(4)13(15,16)14(17,18)12(5)19-6/h9-10H,4-5,7-8H2,1-3,6H3.
What are the key properties of 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene?
3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene has a molecular weight of 282.32 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene is sourced from PubChem (CID 144809465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).