3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol

C10H11F11O2 — CID 19768115

IUPAC3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol
SMILESOCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C10H11F11O2/c11-5(1-3-22)7(14,15)9(18,19)10(20,21)8(16,17)6(12,13)2-4-23/h5,22-23H,1-4H2
InChIKeyXFQSTRBRZJEGFX-UHFFFAOYSA-N
MW372.17 g/mol
LogP3.27
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol

3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol (PubChem CID 19768115) has the molecular formula C10H11F11O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol
PubChem CID19768115
Molecular FormulaC10H11F11O2
Molecular Weight372.17 g/mol
Exact Mass372.06
IUPAC Name3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol
SMILESOCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C10H11F11O2/c11-5(1-3-22)7(14,15)9(18,19)10(20,21)8(16,17)6(12,13)2-4-23/h5,22-23H,1-4H2
InChIKeyXFQSTRBRZJEGFX-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159243232
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorododecane-1,2-diol
CID 139989478
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CID 176905212
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CID 139903405
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-7-methylpentadecane
CID 131700766
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol (CID 19768115) is 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol is OCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol?
The InChIKey is XFQSTRBRZJEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O2/c11-5(1-3-22)7(14,15)9(18,19)10(20,21)8(16,17)6(12,13)2-4-23/h5,22-23H,1-4H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol?
3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol has a molecular weight of 372.17 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol is sourced from PubChem (CID 19768115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).