2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane

C6H4F10 — CID 177246319

IUPAC2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
SMILESFC(F)CC(C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2(8)1-4(3(9)10,5(11,12)13)6(14,15)16/h2-3H,1H2
InChIKeyHCADDHYZAUBBCI-UHFFFAOYSA-N
MW266.08 g/mol
LogP4.02
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane

2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane (PubChem CID 177246319) has the molecular formula C6H4F10 and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
PubChem CID177246319
Molecular FormulaC6H4F10
Molecular Weight266.08 g/mol
Exact Mass266.02
IUPAC Name2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
SMILESFC(F)CC(C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2(8)1-4(3(9)10,5(11,12)13)6(14,15)16/h2-3H,1H2
InChIKeyHCADDHYZAUBBCI-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(difluoromethyl)-1,1,1-trifluoro-8-iodo-2,4-bis(trifluoromethyl)octane
CID 89292902
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
1,1,2,2,4,4-hexafluoro-1-(1,1,2,2,4,4-hexafluorobutoxy)butane
CID 87322712
(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
CID 90282303
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
CID 174002906
CID 174002906
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
CID 118107957

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane (CID 177246319) is 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane is FC(F)CC(C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane?
The InChIKey is HCADDHYZAUBBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10/c7-2(8)1-4(3(9)10,5(11,12)13)6(14,15)16/h2-3H,1H2.
What are the key properties of 2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane?
2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane has a molecular weight of 266.08 g/mol, XLogP of 4.02, 3 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-pentafluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 177246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).