cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride

C3H6Cl2FN — CID 72943152

IUPACcis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@]1(F)Cl
InChIInChI=1S/C3H5ClFN.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H/t2-,3+;/m1./s1
InChIKeyXDEVHCMEAGTKEJ-MUWMCQJSSA-N
MW145.99 g/mol
LogP1.04
Rot. Bonds

About cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride

cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride (PubChem CID 72943152) has the molecular formula C3H6Cl2FN and a molecular weight of 145.99 g/mol. Its IUPAC name is cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
PubChem CID72943152
Molecular FormulaC3H6Cl2FN
Molecular Weight145.99 g/mol
Exact Mass144.99
IUPAC Namecis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@]1(F)Cl
InChIInChI=1S/C3H5ClFN.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H/t2-,3+;/m1./s1
InChIKeyXDEVHCMEAGTKEJ-MUWMCQJSSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.99
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride (CID 72943152) is cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@@]1(F)Cl.
What is the InChIKey of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride?
The InChIKey is XDEVHCMEAGTKEJ-MUWMCQJSSA-N. The full InChI is InChI=1S/C3H5ClFN.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H/t2-,3+;/m1./s1.
What are the key properties of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride has a molecular weight of 145.99 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 72943152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).