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

C6H6ClF3 — CID 174296709

IUPAC5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane
SMILESFC(F)(F)C1CC2C(Cl)C21
InChIInChI=1S/C6H6ClF3/c7-5-2-1-3(4(2)5)6(8,9)10/h2-5H,1H2
InChIKeyGJYIWVZCWBIQPU-UHFFFAOYSA-N
MW170.56 g/mol
LogP2.42
Rot. Bonds

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

5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane (PubChem CID 174296709) has the molecular formula C6H6ClF3 and a molecular weight of 170.56 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane
PubChem CID174296709
Molecular FormulaC6H6ClF3
Molecular Weight170.56 g/mol
Exact Mass170.01
IUPAC Name5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane
SMILESFC(F)(F)C1CC2C(Cl)C21
InChIInChI=1S/C6H6ClF3/c7-5-2-1-3(4(2)5)6(8,9)10/h2-5H,1H2
InChIKeyGJYIWVZCWBIQPU-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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Related Compounds

2-chloro-5-(trifluoromethyl)bicyclo[2.1.0]pentane
CID 174296221
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane
CID 13379977
9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 58779442
(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
CID 102212512
3-chloro-5-iodotricyclo[2.2.1.02,6]heptane
CID 91699610
1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
CID 162613655
2-methyl-4-(trifluoromethyl)bicyclo[3.1.1]heptane
CID 123465196
[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
CID 155896271
4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
CID 166645673
6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine
CID 172746200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane?
The IUPAC name of 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane (CID 174296709) is 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane is FC(F)(F)C1CC2C(Cl)C21.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane?
The InChIKey is GJYIWVZCWBIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3/c7-5-2-1-3(4(2)5)6(8,9)10/h2-5H,1H2.
What are the key properties of 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane?
5-chloro-2-(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 5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 174296709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).