1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane

C16H20F12O — CID 91130093

IUPAC1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane
SMILESC=CCOC(F)(CCCCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H20F12O/c1-3-5-6-7-8-9-11(17,29-10-4-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h4H,2-3,5-10H2,1H3
InChIKeyDOTMSNXLABHMOJ-UHFFFAOYSA-N
MW456.31 g/mol
LogP7.32
Rot. Bonds13

About 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane (PubChem CID 91130093) has the molecular formula C16H20F12O and a molecular weight of 456.31 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane
PubChem CID91130093
Molecular FormulaC16H20F12O
Molecular Weight456.31 g/mol
Exact Mass456.13
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane
SMILESC=CCOC(F)(CCCCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H20F12O/c1-3-5-6-7-8-9-11(17,29-10-4-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h4H,2-3,5-10H2,1H3
InChIKeyDOTMSNXLABHMOJ-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.31
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane with MolForge

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
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1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
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1,1,1,2,2,3,3-heptafluoroicosane
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(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
CID 12820302
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane (CID 91130093) is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane is C=CCOC(F)(CCCCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane?
The InChIKey is DOTMSNXLABHMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F12O/c1-3-5-6-7-8-9-11(17,29-10-4-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h4H,2-3,5-10H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane?
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane has a molecular weight of 456.31 g/mol, XLogP of 7.32, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane is sourced from PubChem (CID 91130093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).