1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane

C9H14F6 — CID 155426955

IUPAC1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
SMILESCC(CC(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F6/c1-6(4-8(10,11)12)3-7(2)5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVQPZMDSSMPSBEY-UHFFFAOYSA-N
MW236.20 g/mol
LogP4.55
Rot. Bonds4

About 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane

1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane (PubChem CID 155426955) has the molecular formula C9H14F6 and a molecular weight of 236.20 g/mol. Its IUPAC name is 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane.

Molecular Properties

Compound Name1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
PubChem CID155426955
Molecular FormulaC9H14F6
Molecular Weight236.20 g/mol
Exact Mass236.10
IUPAC Name1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
SMILESCC(CC(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F6/c1-6(4-8(10,11)12)3-7(2)5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVQPZMDSSMPSBEY-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane 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 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane?
The IUPAC name of 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane (CID 155426955) is 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane.
What is the SMILES notation for 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane?
The canonical SMILES for 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane is CC(CC(C)CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane?
The InChIKey is VQPZMDSSMPSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6/c1-6(4-8(10,11)12)3-7(2)5-9(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane?
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane has a molecular weight of 236.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane is sourced from PubChem (CID 155426955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).