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

C5H3F9O — CID 4156734

IUPAC2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3
InChIKeyDJXNLVJQMJNEMN-UHFFFAOYSA-N
MW250.06 g/mol
LogP3.06
Rot. Bonds2

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

2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 4156734) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID4156734
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3
InChIKeyDJXNLVJQMJNEMN-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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

Related Compounds

1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
Propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxy-
CID 2774943
Methyl perfluorobutyl ether
CID 164514
Methyl perfluoroisopropyl ether
CID 2774925
Perfluoro-t-butyl methyl ether
CID 11064808
2-[Difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 18929310
1-(Difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 18929311
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
2-(Difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane
CID 19001110
1,1,1,2,3,3,3-Heptafluoro-2-(methoxymethyl)propane
CID 19063492
1,1,1,3,3-Pentafluoro-2-(fluoromethyl)-3-methoxypropane
CID 20088814
1,1,1,2,3,3-Hexafluoro-2-(fluoromethyl)-3-methoxypropane
CID 22164455

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (CID 4156734) is 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 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.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is DJXNLVJQMJNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3.
What are the key properties of 2-[difluoro(methoxy)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 250.06 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 4156734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).