6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane

C14H28F2O — CID 58275567

IUPAC6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
SMILESCC(C)OCC(C)(C)CCCC(F)(F)C(C)C
InChIInChI=1S/C14H28F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyLIBVQOVWKUKURY-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.90
Rot. Bonds8

About 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane

6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane (PubChem CID 58275567) has the molecular formula C14H28F2O and a molecular weight of 250.37 g/mol. Its IUPAC name is 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane.

Molecular Properties

Compound Name6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
PubChem CID58275567
Molecular FormulaC14H28F2O
Molecular Weight250.37 g/mol
Exact Mass250.21
IUPAC Name6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
SMILESCC(C)OCC(C)(C)CCCC(F)(F)C(C)C
InChIInChI=1S/C14H28F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyLIBVQOVWKUKURY-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane 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

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
CID 18787828
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
1,1,1-Trifluoro-2-(octoxymethyl)heptane
CID 22002805
2-(Ethoxymethyl)-1,1,1-trifluoroheptane
CID 22002874
1,1,1-Trifluoro-2-(hexoxymethyl)heptane
CID 22002924
2-(Butoxymethyl)-1,1,1-trifluoroheptane
CID 22002968
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-methyl-7-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonan-3-yl)oxynonane
CID 56999091
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane?
The IUPAC name of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane (CID 58275567) is 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane.
What is the SMILES notation for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane?
The canonical SMILES for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane is CC(C)OCC(C)(C)CCCC(F)(F)C(C)C.
What is the InChIKey of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane?
The InChIKey is LIBVQOVWKUKURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane?
6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane has a molecular weight of 250.37 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane is sourced from PubChem (CID 58275567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).