1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol

C16H10F24O2 — CID 141306811

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol
SMILESCCCC(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)C(F)(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C16H10F24O2/c1-2-3-4(17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)42/h4,41-42H,2-3H2,1H3
InChIKeyVFFVWSZUPXDTFA-UHFFFAOYSA-N
MW690.21 g/mol
LogP7.72
Rot. Bonds14

About 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol (PubChem CID 141306811) has the molecular formula C16H10F24O2 and a molecular weight of 690.21 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol
PubChem CID141306811
Molecular FormulaC16H10F24O2
Molecular Weight690.21 g/mol
Exact Mass690.03
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol
SMILESCCCC(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)C(F)(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C16H10F24O2/c1-2-3-4(17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)42/h4,41-42H,2-3H2,1H3
InChIKeyVFFVWSZUPXDTFA-UHFFFAOYSA-N
XLogP7.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.21
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol 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

1,2,2,3,3,4-hexafluoroheptane-1,1-diol
CID 141036292
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorodecane-1-sulfonate
CID 122481694
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481866
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
1,1,2-trifluoropentan-1-amine
CID 22597200
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
1,2-difluoroheptane-1,1-diol
CID 151949145
1,1,2-trifluoro-3-methylhexan-1-ol
CID 89339704
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
CID 175345663

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol (CID 141306811) is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol is CCCC(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)C(F)(F)C(F)(F)C(F)(F)C(O)(O)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol?
The InChIKey is VFFVWSZUPXDTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F24O2/c1-2-3-4(17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)42/h4,41-42H,2-3H2,1H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol?
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol has a molecular weight of 690.21 g/mol, XLogP of 7.72, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol is sourced from PubChem (CID 141306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).