5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid

C15H9F19O2 — CID 118223460

IUPAC5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C15H9F19O2/c1-5(6(35)36)2-3-7(16,17)10(22,23)13(28,29)11(24,25)8(18,19)4-9(20,21)12(26,27)14(30,31)15(32,33)34/h1-4H2,(H,35,36)
InChIKeyZPIDFGNQFHJEGC-UHFFFAOYSA-N
MW582.20 g/mol
LogP7.44
Rot. Bonds12

About 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid

5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid (PubChem CID 118223460) has the molecular formula C15H9F19O2 and a molecular weight of 582.20 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid
PubChem CID118223460
Molecular FormulaC15H9F19O2
Molecular Weight582.20 g/mol
Exact Mass582.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C15H9F19O2/c1-5(6(35)36)2-3-7(16,17)10(22,23)13(28,29)11(24,25)8(18,19)4-9(20,21)12(26,27)14(30,31)15(32,33)34/h1-4H2,(H,35,36)
InChIKeyZPIDFGNQFHJEGC-UHFFFAOYSA-N
XLogP7.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.20
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid with MolForge

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Related Compounds

ethyl prop-2-enoate;5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosafluoro-2-methylidenetetradecanoic acid
CID 161318956
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tricosafluoro-2-methylidenetetradecanoic acid
CID 18365732
5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanethioylamino)-2-methylidenepentanoic acid
CID 54396627
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
CID 3764764
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
2,3-bis(3,3,5,5,6,6,7,7,8,8,8-undecafluorooctyl)but-2-enedioic acid
CID 90847082
9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
CID 101432379
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanoate
CID 46945110
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenylundecan-1-one
CID 11146059
3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,12-nonadecafluorododecyl 2-methylprop-2-enoate
CID 122657841
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) 2-methylidenebutanedioate
CID 20678086
bis(2-fluoroprop-2-enoic acid);5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecane-1,2-diol
CID 157071192

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid (CID 118223460) is 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid is C=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid?
The InChIKey is ZPIDFGNQFHJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F19O2/c1-5(6(35)36)2-3-7(16,17)10(22,23)13(28,29)11(24,25)8(18,19)4-9(20,21)12(26,27)14(30,31)15(32,33)34/h1-4H2,(H,35,36).
What are the key properties of 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid?
5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid has a molecular weight of 582.20 g/mol, XLogP of 7.44, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,14-nonadecafluoro-2-methylidenetetradecanoic acid is sourced from PubChem (CID 118223460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).