1,1,1-trifluoro-2,3,3-trimethylpentane

C8H15F3 — CID 57109358

IUPAC1,1,1-trifluoro-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-5-7(3,4)6(2)8(9,10)11/h6H,5H2,1-4H3
InChIKeyZPYBFYQFDZHENW-UHFFFAOYSA-N
MW168.20 g/mol
LogP3.62
Rot. Bonds2

About 1,1,1-trifluoro-2,3,3-trimethylpentane

1,1,1-trifluoro-2,3,3-trimethylpentane (PubChem CID 57109358) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3,3-trimethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3,3-trimethylpentane
PubChem CID57109358
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name1,1,1-trifluoro-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-5-7(3,4)6(2)8(9,10)11/h6H,5H2,1-4H3
InChIKeyZPYBFYQFDZHENW-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3,3-trimethylpentane?
The IUPAC name of 1,1,1-trifluoro-2,3,3-trimethylpentane (CID 57109358) is 1,1,1-trifluoro-2,3,3-trimethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-2,3,3-trimethylpentane?
The canonical SMILES for 1,1,1-trifluoro-2,3,3-trimethylpentane is CCC(C)(C)C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,3,3-trimethylpentane?
The InChIKey is ZPYBFYQFDZHENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3/c1-5-7(3,4)6(2)8(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2,3,3-trimethylpentane?
1,1,1-trifluoro-2,3,3-trimethylpentane has a molecular weight of 168.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,3,3-trimethylpentane is sourced from PubChem (CID 57109358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).