4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol

C14H17F13O2 — CID 10073113

IUPAC4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol
SMILESOCCCC(CCCO)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F13O2/c15-9(16,7-8(3-1-5-28)4-2-6-29)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8,28-29H,1-7H2
InChIKeyGWDTXWXZSUJIBH-UHFFFAOYSA-N
MW464.26 g/mol
LogP5.28
Rot. Bonds12

About 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol

4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol (PubChem CID 10073113) has the molecular formula C14H17F13O2 and a molecular weight of 464.26 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol
PubChem CID10073113
Molecular FormulaC14H17F13O2
Molecular Weight464.26 g/mol
Exact Mass464.10
IUPAC Name4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol
SMILESOCCCC(CCCO)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F13O2/c15-9(16,7-8(3-1-5-28)4-2-6-29)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8,28-29H,1-7H2
InChIKeyGWDTXWXZSUJIBH-UHFFFAOYSA-N
XLogP5.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.26
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-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-Octanol, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-
CID 2776097
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776232
7,8,8,8-Tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
2-(Perfluoro-7-methyloctyl)ethanol
CID 2776203
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 2776212
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
CID 2776233
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecan-1-ol
CID 50741601
3-(Heptafluoropropyl)pentane-1,5-diol
CID 71367627
3-(Perfluoro-7-methyloctyl)propanol
CID 86017153
(2s,6r)-2,6-Dimethyl-1,8-octanediol
CID 10965032
4,4,4-Trifluoro-2-pentyl-3-(trifluoromethyl)butane-1,3-diol
CID 215056
2-(Heptadecafluorooctyl)butane-1,4-diol
CID 2752562

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol (CID 10073113) is 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol is OCCCC(CCCO)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol?
The InChIKey is GWDTXWXZSUJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F13O2/c15-9(16,7-8(3-1-5-28)4-2-6-29)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8,28-29H,1-7H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol?
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol has a molecular weight of 464.26 g/mol, XLogP of 5.28, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)heptane-1,7-diol is sourced from PubChem (CID 10073113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).