1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane

C8H12F6O — CID 175666417

IUPAC1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane
SMILESFC(F)CC(F)COCC(F)CC(F)F
InChIInChI=1S/C8H12F6O/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14/h5-8H,1-4H2
InChIKeyKHDQBFRHOAFMEV-UHFFFAOYSA-N
MW238.17 g/mol
LogP2.99
Rot. Bonds8

About 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane

1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane (PubChem CID 175666417) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane.

Molecular Properties

Compound Name1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane
PubChem CID175666417
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane
SMILESFC(F)CC(F)COCC(F)CC(F)F
InChIInChI=1S/C8H12F6O/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14/h5-8H,1-4H2
InChIKeyKHDQBFRHOAFMEV-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane?
The IUPAC name of 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane (CID 175666417) is 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane.
What is the SMILES notation for 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane?
The canonical SMILES for 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane is FC(F)CC(F)COCC(F)CC(F)F.
What is the InChIKey of 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane?
The InChIKey is KHDQBFRHOAFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c9-5(1-7(11)12)3-15-4-6(10)2-8(13)14/h5-8H,1-4H2.
What are the key properties of 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane?
1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane has a molecular weight of 238.17 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-4-(2,4,4-trifluorobutoxy)butane is sourced from PubChem (CID 175666417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).