7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol

C14H13F17O2 — CID 10256646

IUPAC7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol
SMILESOCC(O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F17O2/c15-7(16,4-2-1-3-6(33)5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,32-33H,1-5H2
InChIKeyGRIOGPGIAXNFMG-UHFFFAOYSA-N
MW536.22 g/mol
LogP5.91
Rot. Bonds12

About 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol

7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol (PubChem CID 10256646) has the molecular formula C14H13F17O2 and a molecular weight of 536.22 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol
PubChem CID10256646
Molecular FormulaC14H13F17O2
Molecular Weight536.22 g/mol
Exact Mass536.06
IUPAC Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol
SMILESOCC(O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F17O2/c15-7(16,4-2-1-3-6(33)5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,32-33H,1-5H2
InChIKeyGRIOGPGIAXNFMG-UHFFFAOYSA-N
XLogP5.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.22
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol (CID 10256646) is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol is OCC(O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol?
The InChIKey is GRIOGPGIAXNFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F17O2/c15-7(16,4-2-1-3-6(33)5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,32-33H,1-5H2.
What are the key properties of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol?
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol has a molecular weight of 536.22 g/mol, XLogP of 5.91, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecane-1,2-diol is sourced from PubChem (CID 10256646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).