1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene

C10H6F3- — CID 101091649

IUPAC1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2=C[CH-]2)cc1
InChIInChI=1S/C10H6F3/c11-10(12,13)9-5-3-8(4-6-9)7-1-2-7/h1-6H/q-1
InChIKeyDIRMGTBQWXHNJX-UHFFFAOYSA-N
MW183.15 g/mol
LogP3.31
Rot. Bonds1

About 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene

1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene (PubChem CID 101091649) has the molecular formula C10H6F3- and a molecular weight of 183.15 g/mol. Its IUPAC name is 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
PubChem CID101091649
Molecular FormulaC10H6F3-
Molecular Weight183.15 g/mol
Exact Mass183.04
IUPAC Name1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2=C[CH-]2)cc1
InChIInChI=1S/C10H6F3/c11-10(12,13)9-5-3-8(4-6-9)7-1-2-7/h1-6H/q-1
InChIKeyDIRMGTBQWXHNJX-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene (CID 101091649) is 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2=C[CH-]2)cc1.
What is the InChIKey of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene?
The InChIKey is DIRMGTBQWXHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3/c11-10(12,13)9-5-3-8(4-6-9)7-1-2-7/h1-6H/q-1.
What are the key properties of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene?
1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene has a molecular weight of 183.15 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 101091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).