2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride

C5H10ClF2N — CID 126796939

IUPAC2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride
SMILESCl.NCCC1CC1(F)F
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-4(5)1-2-8;/h4H,1-3,8H2;1H
InChIKeyPZXFEZACTBRMGI-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds2

About 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride

2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride (PubChem CID 126796939) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride
PubChem CID126796939
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride
SMILESCl.NCCC1CC1(F)F
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-4(5)1-2-8;/h4H,1-3,8H2;1H
InChIKeyPZXFEZACTBRMGI-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride (CID 126796939) is 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride is Cl.NCCC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride?
The InChIKey is PZXFEZACTBRMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)3-4(5)1-2-8;/h4H,1-3,8H2;1H.
What are the key properties of 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride?
2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)ethanamine;hydrochloride is sourced from PubChem (CID 126796939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).