cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane

C5H6ClF3 — CID 13379977

IUPACcis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane
SMILESFC(F)(F)[C@@H]1C[C@H]1CCl
InChIInChI=1S/C5H6ClF3/c6-2-3-1-4(3)5(7,8)9/h3-4H,1-2H2/t3-,4+/m0/s1
InChIKeyVATABMYPUMTDOB-IUYQGCFVSA-N
MW158.55 g/mol
LogP2.42
Rot. Bonds1

About cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane

cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane (PubChem CID 13379977) has the molecular formula C5H6ClF3 and a molecular weight of 158.55 g/mol. Its IUPAC name is cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane
PubChem CID13379977
Molecular FormulaC5H6ClF3
Molecular Weight158.55 g/mol
Exact Mass158.01
IUPAC Namecis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane
SMILESFC(F)(F)[C@@H]1C[C@H]1CCl
InChIInChI=1S/C5H6ClF3/c6-2-3-1-4(3)5(7,8)9/h3-4H,1-2H2/t3-,4+/m0/s1
InChIKeyVATABMYPUMTDOB-IUYQGCFVSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.55
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 cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane?
The IUPAC name of cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane (CID 13379977) is cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane is FC(F)(F)[C@@H]1C[C@H]1CCl.
What is the InChIKey of cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane?
The InChIKey is VATABMYPUMTDOB-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H6ClF3/c6-2-3-1-4(3)5(7,8)9/h3-4H,1-2H2/t3-,4+/m0/s1.
What are the key properties of cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane?
cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane has a molecular weight of 158.55 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(chloromethyl)-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 13379977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).