1,1,1,3-tetrafluoro-2,2-dimethylpropane

C5H8F4 — CID 20816544

IUPAC1,1,1,3-tetrafluoro-2,2-dimethylpropane
SMILESCC(C)(CF)C(F)(F)F
InChIInChI=1S/C5H8F4/c1-4(2,3-6)5(7,8)9/h3H2,1-2H3
InChIKeyNEVPTUKFVBOJDD-UHFFFAOYSA-N
MW144.11 g/mol
LogP2.54
Rot. Bonds1

About 1,1,1,3-tetrafluoro-2,2-dimethylpropane

1,1,1,3-tetrafluoro-2,2-dimethylpropane (PubChem CID 20816544) has the molecular formula C5H8F4 and a molecular weight of 144.11 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-2,2-dimethylpropane
PubChem CID20816544
Molecular FormulaC5H8F4
Molecular Weight144.11 g/mol
Exact Mass144.06
IUPAC Name1,1,1,3-tetrafluoro-2,2-dimethylpropane
SMILESCC(C)(CF)C(F)(F)F
InChIInChI=1S/C5H8F4/c1-4(2,3-6)5(7,8)9/h3H2,1-2H3
InChIKeyNEVPTUKFVBOJDD-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-2,2-dimethylpropane?
The IUPAC name of 1,1,1,3-tetrafluoro-2,2-dimethylpropane (CID 20816544) is 1,1,1,3-tetrafluoro-2,2-dimethylpropane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-2,2-dimethylpropane?
The canonical SMILES for 1,1,1,3-tetrafluoro-2,2-dimethylpropane is CC(C)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-2,2-dimethylpropane?
The InChIKey is NEVPTUKFVBOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4/c1-4(2,3-6)5(7,8)9/h3H2,1-2H3.
What are the key properties of 1,1,1,3-tetrafluoro-2,2-dimethylpropane?
1,1,1,3-tetrafluoro-2,2-dimethylpropane has a molecular weight of 144.11 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-2,2-dimethylpropane is sourced from PubChem (CID 20816544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).