4,4-difluoro-2,7-dimethyloctane

C10H20F2 — CID 58100040

IUPAC4,4-difluoro-2,7-dimethyloctane
SMILESCC(C)CCC(F)(F)CC(C)C
InChIInChI=1S/C10H20F2/c1-8(2)5-6-10(11,12)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyYERYHXBXILSARO-UHFFFAOYSA-N
MW178.27 g/mol
LogP4.10
Rot. Bonds5

About 4,4-difluoro-2,7-dimethyloctane

4,4-difluoro-2,7-dimethyloctane (PubChem CID 58100040) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 4,4-difluoro-2,7-dimethyloctane.

Molecular Properties

Compound Name4,4-difluoro-2,7-dimethyloctane
PubChem CID58100040
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name4,4-difluoro-2,7-dimethyloctane
SMILESCC(C)CCC(F)(F)CC(C)C
InChIInChI=1S/C10H20F2/c1-8(2)5-6-10(11,12)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyYERYHXBXILSARO-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,7-dimethyloctane?
The IUPAC name of 4,4-difluoro-2,7-dimethyloctane (CID 58100040) is 4,4-difluoro-2,7-dimethyloctane.
What is the SMILES notation for 4,4-difluoro-2,7-dimethyloctane?
The canonical SMILES for 4,4-difluoro-2,7-dimethyloctane is CC(C)CCC(F)(F)CC(C)C.
What is the InChIKey of 4,4-difluoro-2,7-dimethyloctane?
The InChIKey is YERYHXBXILSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-8(2)5-6-10(11,12)7-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,4-difluoro-2,7-dimethyloctane?
4,4-difluoro-2,7-dimethyloctane has a molecular weight of 178.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,7-dimethyloctane is sourced from PubChem (CID 58100040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).