1,2,2,3,3,4-hexafluoroheptane-1,1-diol

C7H10F6O2 — CID 141036292

IUPAC1,2,2,3,3,4-hexafluoroheptane-1,1-diol
SMILESCCCC(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C7H10F6O2/c1-2-3-4(8)5(9,10)6(11,12)7(13,14)15/h4,14-15H,2-3H2,1H3
InChIKeySUJVZCQQBPKIFF-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.00
Rot. Bonds5

About 1,2,2,3,3,4-hexafluoroheptane-1,1-diol

1,2,2,3,3,4-hexafluoroheptane-1,1-diol (PubChem CID 141036292) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,2,2,3,3,4-hexafluoroheptane-1,1-diol.

Molecular Properties

Compound Name1,2,2,3,3,4-hexafluoroheptane-1,1-diol
PubChem CID141036292
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,2,2,3,3,4-hexafluoroheptane-1,1-diol
SMILESCCCC(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C7H10F6O2/c1-2-3-4(8)5(9,10)6(11,12)7(13,14)15/h4,14-15H,2-3H2,1H3
InChIKeySUJVZCQQBPKIFF-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,2-trifluoropentan-1-amine
CID 22597200
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorodecane-1-sulfonate
CID 122481694
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
1,2-difluoroheptane-1,1-diol
CID 151949145
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481866

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4-hexafluoroheptane-1,1-diol?
The IUPAC name of 1,2,2,3,3,4-hexafluoroheptane-1,1-diol (CID 141036292) is 1,2,2,3,3,4-hexafluoroheptane-1,1-diol.
What is the SMILES notation for 1,2,2,3,3,4-hexafluoroheptane-1,1-diol?
The canonical SMILES for 1,2,2,3,3,4-hexafluoroheptane-1,1-diol is CCCC(F)C(F)(F)C(F)(F)C(O)(O)F.
What is the InChIKey of 1,2,2,3,3,4-hexafluoroheptane-1,1-diol?
The InChIKey is SUJVZCQQBPKIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-2-3-4(8)5(9,10)6(11,12)7(13,14)15/h4,14-15H,2-3H2,1H3.
What are the key properties of 1,2,2,3,3,4-hexafluoroheptane-1,1-diol?
1,2,2,3,3,4-hexafluoroheptane-1,1-diol has a molecular weight of 240.14 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4-hexafluoroheptane-1,1-diol is sourced from PubChem (CID 141036292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).