2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

C10H5F19O2 — CID 18929312

IUPAC2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O.C5H3F9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H2;1H3
InChIKeyBNWOGILQFYMBPL-UHFFFAOYSA-N
MW518.11 g/mol
LogP6.41
Rot. Bonds5

About 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 18929312) has the molecular formula C10H5F19O2 and a molecular weight of 518.11 g/mol. Its IUPAC name is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID18929312
Molecular FormulaC10H5F19O2
Molecular Weight518.11 g/mol
Exact Mass518.00
IUPAC Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O.C5H3F9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H2;1H3
InChIKeyBNWOGILQFYMBPL-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.11
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (CID 18929312) is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is COC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is BNWOGILQFYMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O.C5H3F9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H2;1H3.
What are the key properties of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 518.11 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 18929312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).