1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene

C13H13F3 — CID 23635560

IUPAC1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene
SMILESC=C1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H13F3/c1-9-2-3-11(8-9)10-4-6-12(7-5-10)13(14,15)16/h4-7,11H,1-3,8H2
InChIKeyXPZDTFIEKXZJAZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP4.53
Rot. Bonds1

About 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene

1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene (PubChem CID 23635560) has the molecular formula C13H13F3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene
PubChem CID23635560
Molecular FormulaC13H13F3
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene
SMILESC=C1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H13F3/c1-9-2-3-11(8-9)10-4-6-12(7-5-10)13(14,15)16/h4-7,11H,1-3,8H2
InChIKeyXPZDTFIEKXZJAZ-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.53
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-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene (CID 23635560) is 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene is C=C1CCC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene?
The InChIKey is XPZDTFIEKXZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3/c1-9-2-3-11(8-9)10-4-6-12(7-5-10)13(14,15)16/h4-7,11H,1-3,8H2.
What are the key properties of 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene?
1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene has a molecular weight of 226.24 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 23635560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).