1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene

C10H8ClF3 — CID 69409357

IUPAC1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2(Cl)CC2)cc1
InChIInChI=1S/C10H8ClF3/c11-9(5-6-9)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2
InChIKeyYKNAGNFQZXWTTQ-UHFFFAOYSA-N
MW220.62 g/mol
LogP3.93
Rot. Bonds1

About 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene

1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 69409357) has the molecular formula C10H8ClF3 and a molecular weight of 220.62 g/mol. Its IUPAC name is 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID69409357
Molecular FormulaC10H8ClF3
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2(Cl)CC2)cc1
InChIInChI=1S/C10H8ClF3/c11-9(5-6-9)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2
InChIKeyYKNAGNFQZXWTTQ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene (CID 69409357) is 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2(Cl)CC2)cc1.
What is the InChIKey of 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is YKNAGNFQZXWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3/c11-9(5-6-9)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2.
What are the key properties of 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene?
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 220.62 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 69409357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).