1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane

C7H12F4O — CID 162589961

IUPAC1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane
SMILESCC(F)(F)OCC(CF)CCF
InChIInChI=1S/C7H12F4O/c1-7(10,11)12-5-6(4-9)2-3-8/h6H,2-5H2,1H3
InChIKeyMNTQAXXCNIHHCR-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.56
Rot. Bonds6

About 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane

1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane (PubChem CID 162589961) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane
PubChem CID162589961
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane
SMILESCC(F)(F)OCC(CF)CCF
InChIInChI=1S/C7H12F4O/c1-7(10,11)12-5-6(4-9)2-3-8/h6H,2-5H2,1H3
InChIKeyMNTQAXXCNIHHCR-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane (CID 162589961) is 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane is CC(F)(F)OCC(CF)CCF.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane?
The InChIKey is MNTQAXXCNIHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-7(10,11)12-5-6(4-9)2-3-8/h6H,2-5H2,1H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane?
1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane has a molecular weight of 188.16 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane is sourced from PubChem (CID 162589961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).