4,4-difluoro-2,2,7,7-tetramethyloctane

C12H24F2 — CID 169306156

IUPAC4,4-difluoro-2,2,7,7-tetramethyloctane
SMILESCC(C)(C)CCC(F)(F)CC(C)(C)C
InChIInChI=1S/C12H24F2/c1-10(2,3)7-8-12(13,14)9-11(4,5)6/h7-9H2,1-6H3
InChIKeyKVGRKXIIORXGOA-UHFFFAOYSA-N
MW206.32 g/mol
LogP4.88
Rot. Bonds3

About 4,4-difluoro-2,2,7,7-tetramethyloctane

4,4-difluoro-2,2,7,7-tetramethyloctane (PubChem CID 169306156) has the molecular formula C12H24F2 and a molecular weight of 206.32 g/mol. Its IUPAC name is 4,4-difluoro-2,2,7,7-tetramethyloctane.

Molecular Properties

Compound Name4,4-difluoro-2,2,7,7-tetramethyloctane
PubChem CID169306156
Molecular FormulaC12H24F2
Molecular Weight206.32 g/mol
Exact Mass206.18
IUPAC Name4,4-difluoro-2,2,7,7-tetramethyloctane
SMILESCC(C)(C)CCC(F)(F)CC(C)(C)C
InChIInChI=1S/C12H24F2/c1-10(2,3)7-8-12(13,14)9-11(4,5)6/h7-9H2,1-6H3
InChIKeyKVGRKXIIORXGOA-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,4-difluoro-2,2,7,7-tetramethyloctane with MolForge

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

Launch Full Analysis

Related Compounds

3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
CID 171742432
2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
CID 158100302
2,2,3,3-tetrafluoro-5,5-dimethylhexane
CID 88592335
N,2,4,4-tetramethylpentan-2-amine
CID 20714825
2,2-difluoro-5,5-dimethylhexanoic acid
CID 83855276
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
3,3,3-trifluoro-2-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 79788617
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457
N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79260502
2,2,5-trifluoro-5-methylhexane
CID 134441894
2,2,4,4,6,6-hexamethylheptane
CID 2795065

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2,7,7-tetramethyloctane?
The IUPAC name of 4,4-difluoro-2,2,7,7-tetramethyloctane (CID 169306156) is 4,4-difluoro-2,2,7,7-tetramethyloctane.
What is the SMILES notation for 4,4-difluoro-2,2,7,7-tetramethyloctane?
The canonical SMILES for 4,4-difluoro-2,2,7,7-tetramethyloctane is CC(C)(C)CCC(F)(F)CC(C)(C)C.
What is the InChIKey of 4,4-difluoro-2,2,7,7-tetramethyloctane?
The InChIKey is KVGRKXIIORXGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2/c1-10(2,3)7-8-12(13,14)9-11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 4,4-difluoro-2,2,7,7-tetramethyloctane?
4,4-difluoro-2,2,7,7-tetramethyloctane has a molecular weight of 206.32 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2,7,7-tetramethyloctane is sourced from PubChem (CID 169306156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).