cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride

C4H9ClFN — CID 136589399

IUPACcis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1CF
InChIInChI=1S/C4H8FN.ClH/c5-2-3-1-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4+;/m0./s1
InChIKeyOVESCXROAMQGTM-RFKZQXLXSA-N
MW125.57 g/mol
LogP0.72
Rot. Bonds1

About cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride

cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 136589399) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID136589399
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Namecis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1CF
InChIInChI=1S/C4H8FN.ClH/c5-2-3-1-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4+;/m0./s1
InChIKeyOVESCXROAMQGTM-RFKZQXLXSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride (CID 136589399) is cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1CF.
What is the InChIKey of cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is OVESCXROAMQGTM-RFKZQXLXSA-N. The full InChI is InChI=1S/C4H8FN.ClH/c5-2-3-1-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4+;/m0./s1.
What are the key properties of cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 125.57 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 136589399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).