1,3,3-trifluoro-2-(fluoromethyl)butane

C5H8F4 — CID 13207097

IUPAC1,3,3-trifluoro-2-(fluoromethyl)butane
SMILESCC(F)(F)C(CF)CF
InChIInChI=1S/C5H8F4/c1-5(8,9)4(2-6)3-7/h4H,2-3H2,1H3
InChIKeyHJMBLRUETJHBFL-UHFFFAOYSA-N
MW144.11 g/mol
LogP2.20
Rot. Bonds3

About 1,3,3-trifluoro-2-(fluoromethyl)butane

1,3,3-trifluoro-2-(fluoromethyl)butane (PubChem CID 13207097) has the molecular formula C5H8F4 and a molecular weight of 144.11 g/mol. Its IUPAC name is 1,3,3-trifluoro-2-(fluoromethyl)butane.

Molecular Properties

Compound Name1,3,3-trifluoro-2-(fluoromethyl)butane
PubChem CID13207097
Molecular FormulaC5H8F4
Molecular Weight144.11 g/mol
Exact Mass144.06
IUPAC Name1,3,3-trifluoro-2-(fluoromethyl)butane
SMILESCC(F)(F)C(CF)CF
InChIInChI=1S/C5H8F4/c1-5(8,9)4(2-6)3-7/h4H,2-3H2,1H3
InChIKeyHJMBLRUETJHBFL-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoro-2-(fluoromethyl)butane?
The IUPAC name of 1,3,3-trifluoro-2-(fluoromethyl)butane (CID 13207097) is 1,3,3-trifluoro-2-(fluoromethyl)butane.
What is the SMILES notation for 1,3,3-trifluoro-2-(fluoromethyl)butane?
The canonical SMILES for 1,3,3-trifluoro-2-(fluoromethyl)butane is CC(F)(F)C(CF)CF.
What is the InChIKey of 1,3,3-trifluoro-2-(fluoromethyl)butane?
The InChIKey is HJMBLRUETJHBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4/c1-5(8,9)4(2-6)3-7/h4H,2-3H2,1H3.
What are the key properties of 1,3,3-trifluoro-2-(fluoromethyl)butane?
1,3,3-trifluoro-2-(fluoromethyl)butane has a molecular weight of 144.11 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoro-2-(fluoromethyl)butane is sourced from PubChem (CID 13207097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).