2,3,6,7-tetrafluorooctane

C8H14F4 — CID 90762432

IUPAC2,3,6,7-tetrafluorooctane
SMILESCC(F)C(F)CCC(F)C(C)F
InChIInChI=1S/C8H14F4/c1-5(9)7(11)3-4-8(12)6(2)10/h5-8H,3-4H2,1-2H3
InChIKeyRDBIKPKLJOPQMK-UHFFFAOYSA-N
MW186.19 g/mol
LogP3.16
Rot. Bonds5

About 2,3,6,7-tetrafluorooctane

2,3,6,7-tetrafluorooctane (PubChem CID 90762432) has the molecular formula C8H14F4 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2,3,6,7-tetrafluorooctane.

Molecular Properties

Compound Name2,3,6,7-tetrafluorooctane
PubChem CID90762432
Molecular FormulaC8H14F4
Molecular Weight186.19 g/mol
Exact Mass186.10
IUPAC Name2,3,6,7-tetrafluorooctane
SMILESCC(F)C(F)CCC(F)C(C)F
InChIInChI=1S/C8H14F4/c1-5(9)7(11)3-4-8(12)6(2)10/h5-8H,3-4H2,1-2H3
InChIKeyRDBIKPKLJOPQMK-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,6,7-tetrafluorooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrafluorooctane?
The IUPAC name of 2,3,6,7-tetrafluorooctane (CID 90762432) is 2,3,6,7-tetrafluorooctane.
What is the SMILES notation for 2,3,6,7-tetrafluorooctane?
The canonical SMILES for 2,3,6,7-tetrafluorooctane is CC(F)C(F)CCC(F)C(C)F.
What is the InChIKey of 2,3,6,7-tetrafluorooctane?
The InChIKey is RDBIKPKLJOPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4/c1-5(9)7(11)3-4-8(12)6(2)10/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,3,6,7-tetrafluorooctane?
2,3,6,7-tetrafluorooctane has a molecular weight of 186.19 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrafluorooctane is sourced from PubChem (CID 90762432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).