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

C3H5ClFN — CID 72943153

IUPACcis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
SMILESN[C@@H]1C[C@@]1(F)Cl
InChIInChI=1S/C3H5ClFN/c4-3(5)1-2(3)6/h2H,1,6H2/t2-,3+/m1/s1
InChIKeyPBECTXZCMGODTN-GBXIJSLDSA-N
MW109.53 g/mol
LogP0.62
Rot. Bonds

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

cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine (PubChem CID 72943153) has the molecular formula C3H5ClFN and a molecular weight of 109.53 g/mol. Its IUPAC name is cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
PubChem CID72943153
Molecular FormulaC3H5ClFN
Molecular Weight109.53 g/mol
Exact Mass109.01
IUPAC Namecis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
SMILESN[C@@H]1C[C@@]1(F)Cl
InChIInChI=1S/C3H5ClFN/c4-3(5)1-2(3)6/h2H,1,6H2/t2-,3+/m1/s1
InChIKeyPBECTXZCMGODTN-GBXIJSLDSA-N
XLogP0.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.53
LogP ≤ 50.62
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?
The IUPAC name of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine (CID 72943153) is cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine is N[C@@H]1C[C@@]1(F)Cl.
What is the InChIKey of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine?
The InChIKey is PBECTXZCMGODTN-GBXIJSLDSA-N. The full InChI is InChI=1S/C3H5ClFN/c4-3(5)1-2(3)6/h2H,1,6H2/t2-,3+/m1/s1.
What are the key properties of cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine?
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine has a molecular weight of 109.53 g/mol, XLogP of 0.62, 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 is sourced from PubChem (CID 72943153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).