2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane

C5H4F8 — CID 15044585

IUPAC2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8/c6-3(7)2(5(11,12)13)1-4(8,9)10/h2-3H,1H2
InChIKeyDIUYDLCYPXPTSY-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.38
Rot. Bonds2

About 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane

2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane (PubChem CID 15044585) has the molecular formula C5H4F8 and a molecular weight of 216.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane
PubChem CID15044585
Molecular FormulaC5H4F8
Molecular Weight216.07 g/mol
Exact Mass216.02
IUPAC Name2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8/c6-3(7)2(5(11,12)13)1-4(8,9)10/h2-3H,1H2
InChIKeyDIUYDLCYPXPTSY-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane (CID 15044585) is 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane is FC(F)C(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane?
The InChIKey is DIUYDLCYPXPTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8/c6-3(7)2(5(11,12)13)1-4(8,9)10/h2-3H,1H2.
What are the key properties of 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane?
2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane has a molecular weight of 216.07 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,4,4,4-hexafluorobutane is sourced from PubChem (CID 15044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).