1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane

C6H9F5O — CID 23594540

IUPAC1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane
SMILESCOC(C)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-4(12-3,5(2,7)8)6(9,10)11/h1-3H3
InChIKeyIMMMJIMBTCWLRZ-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.61
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane

1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane (PubChem CID 23594540) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane
PubChem CID23594540
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane
SMILESCOC(C)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-4(12-3,5(2,7)8)6(9,10)11/h1-3H3
InChIKeyIMMMJIMBTCWLRZ-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane (CID 23594540) is 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane is COC(C)(C(C)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane?
The InChIKey is IMMMJIMBTCWLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-4(12-3,5(2,7)8)6(9,10)11/h1-3H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane?
1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane has a molecular weight of 192.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-methoxy-2-methylbutane is sourced from PubChem (CID 23594540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).