5-ethyl-2,2-difluorooctane

C10H20F2 — CID 144565046

IUPAC5-ethyl-2,2-difluorooctane
SMILESCCCC(CC)CCC(C)(F)F
InChIInChI=1S/C10H20F2/c1-4-6-9(5-2)7-8-10(3,11)12/h9H,4-8H2,1-3H3
InChIKeyOBRSRKYGQVKQCS-UHFFFAOYSA-N
MW178.27 g/mol
LogP4.25
Rot. Bonds6

About 5-ethyl-2,2-difluorooctane

5-ethyl-2,2-difluorooctane (PubChem CID 144565046) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 5-ethyl-2,2-difluorooctane.

Molecular Properties

Compound Name5-ethyl-2,2-difluorooctane
PubChem CID144565046
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name5-ethyl-2,2-difluorooctane
SMILESCCCC(CC)CCC(C)(F)F
InChIInChI=1S/C10H20F2/c1-4-6-9(5-2)7-8-10(3,11)12/h9H,4-8H2,1-3H3
InChIKeyOBRSRKYGQVKQCS-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-difluorooctane?
The IUPAC name of 5-ethyl-2,2-difluorooctane (CID 144565046) is 5-ethyl-2,2-difluorooctane.
What is the SMILES notation for 5-ethyl-2,2-difluorooctane?
The canonical SMILES for 5-ethyl-2,2-difluorooctane is CCCC(CC)CCC(C)(F)F.
What is the InChIKey of 5-ethyl-2,2-difluorooctane?
The InChIKey is OBRSRKYGQVKQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-4-6-9(5-2)7-8-10(3,11)12/h9H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2,2-difluorooctane?
5-ethyl-2,2-difluorooctane has a molecular weight of 178.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-difluorooctane is sourced from PubChem (CID 144565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).