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

C28H16F34O — CID 139761693

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-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
SMILESCC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(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/C28H16F34O/c1-3-5-11(7-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)9-63-10-12(6-4-2)8-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h3-8H,9-10H2,1-2H3
InChIKeyLIPKNSWWOMHZLD-UHFFFAOYSA-N
MW1014.37 g/mol
LogP14.03
Rot. Bonds20

About 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

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 (PubChem CID 139761693) has the molecular formula C28H16F34O and a molecular weight of 1014.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-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
PubChem CID139761693
Molecular FormulaC28H16F34O
Molecular Weight1014.37 g/mol
Exact Mass1014.07
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-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
SMILESCC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(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/C28H16F34O/c1-3-5-11(7-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)9-63-10-12(6-4-2)8-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h3-8H,9-10H2,1-2H3
InChIKeyLIPKNSWWOMHZLD-UHFFFAOYSA-N
XLogP14.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.37
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 88396511
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
3-Methyl-1-(2,2,2-trifluoroethoxy)undec-2-ene
CID 124020296
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
6,6,7,7,8,8,9,9,10,10,11,11,11-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
(3E)-4-[ethoxy(difluoro)methyl]-6-methylhepta-1,3,5-triene
CID 142382018
4-[(3Z,7Z,11Z)-13-ethoxy-11,12-difluoro-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-yl]-2-fluoro-1-methylcyclohexa-1,3-diene
CID 144028417
1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene
CID 144630979
(7Z)-3,3,4,4-tetrafluoro-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
CID 144809530
(7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
CID 144809566
2-Fluoro-5-[(5-octylcyclohepta-1,4,6-trien-1-yl)oxymethyl]cyclohepta-1,3,5-triene
CID 154987655
(E)-1-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]oxydec-4-ene
CID 156304770

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(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 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?
The InChIKey is LIPKNSWWOMHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F34O/c1-3-5-11(7-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)9-63-10-12(6-4-2)8-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h3-8H,9-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1014.37 g/mol, XLogP of 14.03, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).