2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane

C6H6ClF3 — CID 174296221

IUPAC2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane
SMILESFC(F)(F)C1C2CC(Cl)C21
InChIInChI=1S/C6H6ClF3/c7-3-1-2-4(3)5(2)6(8,9)10/h2-5H,1H2
InChIKeyNUBGIZZZIJRNHY-UHFFFAOYSA-N
MW170.56 g/mol
LogP2.42
Rot. Bonds

About 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane

2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane (PubChem CID 174296221) has the molecular formula C6H6ClF3 and a molecular weight of 170.56 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane
PubChem CID174296221
Molecular FormulaC6H6ClF3
Molecular Weight170.56 g/mol
Exact Mass170.01
IUPAC Name2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane
SMILESFC(F)(F)C1C2CC(Cl)C21
InChIInChI=1S/C6H6ClF3/c7-3-1-2-4(3)5(2)6(8,9)10/h2-5H,1H2
InChIKeyNUBGIZZZIJRNHY-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 52.42
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 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane?
The IUPAC name of 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane (CID 174296221) is 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane is FC(F)(F)C1C2CC(Cl)C21.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane?
The InChIKey is NUBGIZZZIJRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3/c7-3-1-2-4(3)5(2)6(8,9)10/h2-5H,1H2.
What are the key properties of 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane?
2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane has a molecular weight of 170.56 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 174296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).