N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride

C5H10ClF2N — CID 50988609

IUPACN-(2,2-difluoroethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)CNC1CC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-8-4-1-2-4;/h4-5,8H,1-3H2;1H
InChIKeyUMOOJIWLEQUZLF-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.43
Rot. Bonds3

About N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride

N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride (PubChem CID 50988609) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclopropanamine;hydrochloride
PubChem CID50988609
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC NameN-(2,2-difluoroethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)CNC1CC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-8-4-1-2-4;/h4-5,8H,1-3H2;1H
InChIKeyUMOOJIWLEQUZLF-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride (CID 50988609) is N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride is Cl.FC(F)CNC1CC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride?
The InChIKey is UMOOJIWLEQUZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)3-8-4-1-2-4;/h4-5,8H,1-3H2;1H.
What are the key properties of N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride?
N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 50988609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).