2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane

C6H7F7O — CID 19063459

IUPAC2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2-3H2,1H3
InChIKeyKYIBMKYETHAUGD-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.86
Rot. Bonds3

About 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane

2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 19063459) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID19063459
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2-3H2,1H3
InChIKeyKYIBMKYETHAUGD-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 9528
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CID 94258
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CID 45459
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CID 206000
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CID 10003
CID 10003
CID 120272
CID 120272
CID 2737027
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CID 2776662
CID 2776662
CID 2778364
CID 2778364
CID 205999
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CID 9659
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CID 11840937
CID 11840937

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane (CID 19063459) is 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane is CCOCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is KYIBMKYETHAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2-3H2,1H3.
What are the key properties of 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 228.11 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 19063459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).