3,3,5,5-tetrafluoroheptane-1,7-diol

C7H12F4O2 — CID 158492459

IUPAC3,3,5,5-tetrafluoroheptane-1,7-diol
SMILESOCCC(F)(F)CC(F)(F)CCO
InChIInChI=1S/C7H12F4O2/c8-6(9,1-3-12)5-7(10,11)2-4-13/h12-13H,1-5H2
InChIKeyHQFYHPFGYLQBHN-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.41
Rot. Bonds6

About 3,3,5,5-tetrafluoroheptane-1,7-diol

3,3,5,5-tetrafluoroheptane-1,7-diol (PubChem CID 158492459) has the molecular formula C7H12F4O2 and a molecular weight of 204.16 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoroheptane-1,7-diol.

Molecular Properties

Compound Name3,3,5,5-tetrafluoroheptane-1,7-diol
PubChem CID158492459
Molecular FormulaC7H12F4O2
Molecular Weight204.16 g/mol
Exact Mass204.08
IUPAC Name3,3,5,5-tetrafluoroheptane-1,7-diol
SMILESOCCC(F)(F)CC(F)(F)CCO
InChIInChI=1S/C7H12F4O2/c8-6(9,1-3-12)5-7(10,11)2-4-13/h12-13H,1-5H2
InChIKeyHQFYHPFGYLQBHN-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluoroheptane-1,7-diol?
The IUPAC name of 3,3,5,5-tetrafluoroheptane-1,7-diol (CID 158492459) is 3,3,5,5-tetrafluoroheptane-1,7-diol.
What is the SMILES notation for 3,3,5,5-tetrafluoroheptane-1,7-diol?
The canonical SMILES for 3,3,5,5-tetrafluoroheptane-1,7-diol is OCCC(F)(F)CC(F)(F)CCO.
What is the InChIKey of 3,3,5,5-tetrafluoroheptane-1,7-diol?
The InChIKey is HQFYHPFGYLQBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O2/c8-6(9,1-3-12)5-7(10,11)2-4-13/h12-13H,1-5H2.
What are the key properties of 3,3,5,5-tetrafluoroheptane-1,7-diol?
3,3,5,5-tetrafluoroheptane-1,7-diol has a molecular weight of 204.16 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluoroheptane-1,7-diol is sourced from PubChem (CID 158492459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).