1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane

C5H5F7O — CID 19063492

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane
SMILESCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-13-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyMNKRJAPUNUHFRA-UHFFFAOYSA-N
MW214.08 g/mol
LogP2.47
Rot. Bonds2

About 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane

1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane (PubChem CID 19063492) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane
PubChem CID19063492
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane
SMILESCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-13-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyMNKRJAPUNUHFRA-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane (CID 19063492) is 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane is COCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane?
The InChIKey is MNKRJAPUNUHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c1-13-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane?
1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane has a molecular weight of 214.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethyl)propane is sourced from PubChem (CID 19063492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).