1,1,1,2-tetrafluoro-2,3,3-trimethylbutane

C7H12F4 — CID 88943040

IUPAC1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4/c1-5(2,3)6(4,8)7(9,10)11/h1-4H3
InChIKeyCWUHOMQWEOQGQS-UHFFFAOYSA-N
MW172.16 g/mol
LogP3.32
Rot. Bonds

About 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane

1,1,1,2-tetrafluoro-2,3,3-trimethylbutane (PubChem CID 88943040) has the molecular formula C7H12F4 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
PubChem CID88943040
Molecular FormulaC7H12F4
Molecular Weight172.16 g/mol
Exact Mass172.09
IUPAC Name1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4/c1-5(2,3)6(4,8)7(9,10)11/h1-4H3
InChIKeyCWUHOMQWEOQGQS-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane?
The IUPAC name of 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane (CID 88943040) is 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane is CC(C)(C)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane?
The InChIKey is CWUHOMQWEOQGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4/c1-5(2,3)6(4,8)7(9,10)11/h1-4H3.
What are the key properties of 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane?
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane has a molecular weight of 172.16 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2,3,3-trimethylbutane is sourced from PubChem (CID 88943040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).