1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane

C6H4F10 — CID 177246313

IUPAC1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
SMILESFCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2-1-3(4(8,9)10,5(11,12)13)6(14,15)16/h1-2H2
InChIKeyRJNCUFUOXHRPOC-UHFFFAOYSA-N
MW266.08 g/mol
LogP4.02
Rot. Bonds2

About 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane

1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane (PubChem CID 177246313) has the molecular formula C6H4F10 and a molecular weight of 266.08 g/mol. Its IUPAC name is 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
PubChem CID177246313
Molecular FormulaC6H4F10
Molecular Weight266.08 g/mol
Exact Mass266.02
IUPAC Name1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
SMILESFCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2-1-3(4(8,9)10,5(11,12)13)6(14,15)16/h1-2H2
InChIKeyRJNCUFUOXHRPOC-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

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3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
CID 139735073
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane?
The IUPAC name of 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane (CID 177246313) is 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane is FCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane?
The InChIKey is RJNCUFUOXHRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10/c7-2-1-3(4(8,9)10,5(11,12)13)6(14,15)16/h1-2H2.
What are the key properties of 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane?
1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane has a molecular weight of 266.08 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane is sourced from PubChem (CID 177246313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).