1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane

C9H13F3 — CID 170294214

IUPAC1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane
SMILESCC(C)=C1C(C)(F)CCC1(F)F
InChIInChI=1S/C9H13F3/c1-6(2)7-8(3,10)4-5-9(7,11)12/h4-5H2,1-3H3
InChIKeyUJDRSEUJYLVQAD-UHFFFAOYSA-N
MW178.20 g/mol
LogP3.48
Rot. Bonds

About 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane

1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane (PubChem CID 170294214) has the molecular formula C9H13F3 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane.

Molecular Properties

Compound Name1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane
PubChem CID170294214
Molecular FormulaC9H13F3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane
SMILESCC(C)=C1C(C)(F)CCC1(F)F
InChIInChI=1S/C9H13F3/c1-6(2)7-8(3,10)4-5-9(7,11)12/h4-5H2,1-3H3
InChIKeyUJDRSEUJYLVQAD-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.48
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 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane?
The IUPAC name of 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane (CID 170294214) is 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane.
What is the SMILES notation for 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane?
The canonical SMILES for 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane is CC(C)=C1C(C)(F)CCC1(F)F.
What is the InChIKey of 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane?
The InChIKey is UJDRSEUJYLVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3/c1-6(2)7-8(3,10)4-5-9(7,11)12/h4-5H2,1-3H3.
What are the key properties of 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane?
1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane has a molecular weight of 178.20 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-3-methyl-2-propan-2-ylidenecyclopentane is sourced from PubChem (CID 170294214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).