1,1,1,3,3,3-hexafluoro-2-propoxypropane

C6H8F6O — CID 22005452

IUPAC1,1,1,3,3,3-hexafluoro-2-propoxypropane
SMILESCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyQBQYFAFJEXKGLJ-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.91
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-propoxypropane

1,1,1,3,3,3-hexafluoro-2-propoxypropane (PubChem CID 22005452) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-propoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-propoxypropane
PubChem CID22005452
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-propoxypropane
SMILESCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyQBQYFAFJEXKGLJ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-propoxypropane 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

Hexafluoroisopropyl methyl ether
CID 25749
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
Difluormethyl-ather
CID 10464348
2-(Trifluoromethoxy)propane
CID 21068678
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
2,2'-Oxybis-1,1,1,3,3,3-hexafluoro-propane
CID 22676946
Ethoxyhex a-fluorobutane
CID 53855163
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-propoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-propoxypropane (CID 22005452) is 1,1,1,3,3,3-hexafluoro-2-propoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-propoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-propoxypropane is CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-propoxypropane?
The InChIKey is QBQYFAFJEXKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-propoxypropane?
1,1,1,3,3,3-hexafluoro-2-propoxypropane has a molecular weight of 210.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-propoxypropane is sourced from PubChem (CID 22005452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).