5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid

C14H7F19O2 — CID 18702691

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C14H7F19O2/c1-4(5(34)35)2-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1-3H2,(H,34,35)
InChIKeyCAKUAGUHUYDFQY-UHFFFAOYSA-N
MW568.17 g/mol
LogP7.05
Rot. Bonds11

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid (PubChem CID 18702691) has the molecular formula C14H7F19O2 and a molecular weight of 568.17 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid
PubChem CID18702691
Molecular FormulaC14H7F19O2
Molecular Weight568.17 g/mol
Exact Mass568.01
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C14H7F19O2/c1-4(5(34)35)2-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1-3H2,(H,34,35)
InChIKeyCAKUAGUHUYDFQY-UHFFFAOYSA-N
XLogP7.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.17
LogP ≤ 57.05
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 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid 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

2-decyl acrylic Acid
CID 5282682
2-(Perfluoro-3-methylbutyl) ethyl acrylic acid
CID 87259134
2-(4,4-Difluorocyclohexyl)prop-2-enoicacid
CID 165842557
2-Methylidenetetradecanoic acid
CID 173898
2-Methylideneundecanoic acid
CID 10442732
2-Methylideneoctanoic acid
CID 12731439
Decene-2-carboxylic acid
CID 12731440
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methylidenedecanoic acid
CID 10128141
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-methylideneundecanoic acid
CID 10311353
2-(Difluoromethylidene)heptanoic acid
CID 10845039
5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Hexadecafluoro-2-methylidene-11-(trifluoromethyl)dodecanoic acid
CID 13548437
3,3,4,4,5,5,6,6,6-Nonafluoro-2-methylidenehexanoic acid
CID 13913117

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid (CID 18702691) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid is C=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid?
The InChIKey is CAKUAGUHUYDFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F19O2/c1-4(5(34)35)2-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1-3H2,(H,34,35).
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid?
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid has a molecular weight of 568.17 g/mol, XLogP of 7.05, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluoro-2-methylidenetridecanoic acid is sourced from PubChem (CID 18702691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).