1,1,1-trifluoro-3,3-dimethylpentane

C7H13F3 — CID 21014884

IUPAC1,1,1-trifluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-6(2,3)5-7(8,9)10/h4-5H2,1-3H3
InChIKeyYAQQXCNNKIWDQP-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.38
Rot. Bonds2

About 1,1,1-trifluoro-3,3-dimethylpentane

1,1,1-trifluoro-3,3-dimethylpentane (PubChem CID 21014884) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethylpentane
PubChem CID21014884
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name1,1,1-trifluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-6(2,3)5-7(8,9)10/h4-5H2,1-3H3
InChIKeyYAQQXCNNKIWDQP-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.38
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-3,3-dimethylpentane?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethylpentane (CID 21014884) is 1,1,1-trifluoro-3,3-dimethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethylpentane?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethylpentane is CCC(C)(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethylpentane?
The InChIKey is YAQQXCNNKIWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-4-6(2,3)5-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethylpentane?
1,1,1-trifluoro-3,3-dimethylpentane has a molecular weight of 154.17 g/mol, XLogP of 3.38, 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-3,3-dimethylpentane is sourced from PubChem (CID 21014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).