1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane

C8H13F3 — CID 90715892

IUPAC1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane
SMILESC=C(CC)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-5-6(2)7(3,4)8(9,10)11/h2,5H2,1,3-4H3
InChIKeyRUJNUNKKILOKDK-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds2

About 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane

1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane (PubChem CID 90715892) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane
PubChem CID90715892
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane
SMILESC=C(CC)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-5-6(2)7(3,4)8(9,10)11/h2,5H2,1,3-4H3
InChIKeyRUJNUNKKILOKDK-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane?
The IUPAC name of 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane (CID 90715892) is 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane?
The canonical SMILES for 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane is C=C(CC)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane?
The InChIKey is RUJNUNKKILOKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-5-6(2)7(3,4)8(9,10)11/h2,5H2,1,3-4H3.
What are the key properties of 1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane?
1,1,1-trifluoro-2,2-dimethyl-3-methylidenepentane has a molecular weight of 166.19 g/mol, XLogP of 3.54, 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-2,2-dimethyl-3-methylidenepentane is sourced from PubChem (CID 90715892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).