2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol

C7H10F6O2 — CID 19986907

IUPAC2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol
SMILESOCCC(CO)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H10F6O2/c8-5(9)7(12,13)6(10,11)4(3-15)1-2-14/h4-5,14-15H,1-3H2
InChIKeySFUYCTVJEAPINT-UHFFFAOYSA-N
MW240.14 g/mol
LogP1.51
Rot. Bonds6

About 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol

2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol (PubChem CID 19986907) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol
PubChem CID19986907
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol
SMILESOCCC(CO)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H10F6O2/c8-5(9)7(12,13)6(10,11)4(3-15)1-2-14/h4-5,14-15H,1-3H2
InChIKeySFUYCTVJEAPINT-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol?
The IUPAC name of 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol (CID 19986907) is 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol?
The canonical SMILES for 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol is OCCC(CO)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol?
The InChIKey is SFUYCTVJEAPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c8-5(9)7(12,13)6(10,11)4(3-15)1-2-14/h4-5,14-15H,1-3H2.
What are the key properties of 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol?
2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol has a molecular weight of 240.14 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexafluoropropyl)butane-1,4-diol is sourced from PubChem (CID 19986907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).