3,3-difluorooctane

C8H16F2 — CID 54258569

IUPAC3,3-difluorooctane
SMILESCCCCCC(F)(F)CC
InChIInChI=1S/C8H16F2/c1-3-5-6-7-8(9,10)4-2/h3-7H2,1-2H3
InChIKeyYLVJNDDOHBZKCL-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.61
Rot. Bonds5

About 3,3-difluorooctane

3,3-difluorooctane (PubChem CID 54258569) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 3,3-difluorooctane.

Molecular Properties

Compound Name3,3-difluorooctane
PubChem CID54258569
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name3,3-difluorooctane
SMILESCCCCCC(F)(F)CC
InChIInChI=1S/C8H16F2/c1-3-5-6-7-8(9,10)4-2/h3-7H2,1-2H3
InChIKeyYLVJNDDOHBZKCL-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,7,7-pentafluoroheptadecane
CID 54180623
5,5-difluorononane
CID 21410163
2,2-difluorododecan-1-ol
CID 86222269
2,2-difluorodecan-1-amine
CID 12635530
3,3-difluoro-1-pentoxypentane
CID 175614037
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluorohexadecane
CID 15685316
1,1-dibromo-1-fluorohexane
CID 139643028
1,1-difluorohexylarsane
CID 173206218
7-butyl-7-ethyltetradecane
CID 174665936
6,6-difluorododecanal
CID 143801183
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorooctane?
The IUPAC name of 3,3-difluorooctane (CID 54258569) is 3,3-difluorooctane.
What is the SMILES notation for 3,3-difluorooctane?
The canonical SMILES for 3,3-difluorooctane is CCCCCC(F)(F)CC.
What is the InChIKey of 3,3-difluorooctane?
The InChIKey is YLVJNDDOHBZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-3-5-6-7-8(9,10)4-2/h3-7H2,1-2H3.
What are the key properties of 3,3-difluorooctane?
3,3-difluorooctane has a molecular weight of 150.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorooctane is sourced from PubChem (CID 54258569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).