2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane

C8H9F9O — CID 58957484

IUPAC2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
SMILESCCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C8H9F9O/c1-2-3-18-8(16,17)6(12,7(13,14)15)5(10,11)4-9/h2-4H2,1H3
InChIKeyLCUSMYVTFJLILU-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.88
Rot. Bonds6

About 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane (PubChem CID 58957484) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane.

Molecular Properties

Compound Name2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
PubChem CID58957484
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
SMILESCCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C8H9F9O/c1-2-3-18-8(16,17)6(12,7(13,14)15)5(10,11)4-9/h2-4H2,1H3
InChIKeyLCUSMYVTFJLILU-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane 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

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
CID 173043231
1,1,2,2,3,3,4-heptafluorobutyl dipropyl phosphate
CID 87919122
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
1,1,1,2,2,3-hexafluoropropane;trimethoxysilane
CID 175523544
1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
CID 18400465
dichloro-(1-fluoro-1-propoxybutyl)silane
CID 173413452
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane?
The IUPAC name of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane (CID 58957484) is 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane.
What is the SMILES notation for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane?
The canonical SMILES for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane is CCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)CF.
What is the InChIKey of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane?
The InChIKey is LCUSMYVTFJLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c1-2-3-18-8(16,17)6(12,7(13,14)15)5(10,11)4-9/h2-4H2,1H3.
What are the key properties of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane?
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane has a molecular weight of 292.14 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane is sourced from PubChem (CID 58957484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).