1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane

C8H13F5O — CID 59492089

IUPAC1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane
SMILESCCC(F)(F)OC(F)(F)C(C)(F)CC
InChIInChI=1S/C8H13F5O/c1-4-6(3,9)8(12,13)14-7(10,11)5-2/h4-5H2,1-3H3
InChIKeyFWZXKOGWSIPZHI-UHFFFAOYSA-N
MW220.18 g/mol
LogP3.74
Rot. Bonds5

About 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane

1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane (PubChem CID 59492089) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane
PubChem CID59492089
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane
SMILESCCC(F)(F)OC(F)(F)C(C)(F)CC
InChIInChI=1S/C8H13F5O/c1-4-6(3,9)8(12,13)14-7(10,11)5-2/h4-5H2,1-3H3
InChIKeyFWZXKOGWSIPZHI-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane?
The IUPAC name of 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane (CID 59492089) is 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane.
What is the SMILES notation for 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane?
The canonical SMILES for 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane is CCC(F)(F)OC(F)(F)C(C)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane?
The InChIKey is FWZXKOGWSIPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-4-6(3,9)8(12,13)14-7(10,11)5-2/h4-5H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane?
1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane has a molecular weight of 220.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropoxy)-1,1,2-trifluoro-2-methylbutane is sourced from PubChem (CID 59492089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).