1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol

C10H3F19O2 — CID 174974760

About 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol

1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol (PubChem CID 174974760) has the molecular formula C10H3F19O2 and a molecular weight of 516.09 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol.

Molecular Properties

• Compound Name: 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
• PubChem CID: 174974760
• Molecular Formula: C10H3F19O2
• Molecular Weight: 516.09 g/mol
• Exact Mass: 515.98
• IUPAC Name: 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
• SMILES: OC(F)(C(F)(F)C(F)F)C(F)(F)C(F)(F)C(O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10H3F19O2/c11-1(12)2(13,14)8(25,30)5(19,20)6(21,22)9(26,31)4(17,18)3(15,16)7(23,24)10(27,28)29/h1,30-31H
• InChIKey: HXPLMCMALMAZKA-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.09
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol?

The IUPAC name of 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol (CID 174974760) is 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol.

What is the SMILES notation for 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol?

The canonical SMILES for 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol is OC(F)(C(F)(F)C(F)F)C(F)(F)C(F)(F)C(O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol?

The InChIKey is HXPLMCMALMAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F19O2/c11-1(12)2(13,14)8(25,30)5(19,20)6(21,22)9(26,31)4(17,18)3(15,16)7(23,24)10(27,28)29/h1,30-31H.

What are the key properties of 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol?

1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol has a molecular weight of 516.09 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol is sourced from PubChem (CID 174974760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).