(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride

C7H11ClF2N2 — CID 171243825

IUPAC(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
SMILESCl.Cn1cccc1[C@@H](N)C(F)F
InChIInChI=1S/C7H10F2N2.ClH/c1-11-4-2-3-5(11)6(10)7(8)9;/h2-4,6-7H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyUJKFNZQZCVGUNM-FYZOBXCZSA-N
MW196.63 g/mol
LogP1.71
Rot. Bonds2

About (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride

(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride (PubChem CID 171243825) has the molecular formula C7H11ClF2N2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
PubChem CID171243825
Molecular FormulaC7H11ClF2N2
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
SMILESCl.Cn1cccc1[C@@H](N)C(F)F
InChIInChI=1S/C7H10F2N2.ClH/c1-11-4-2-3-5(11)6(10)7(8)9;/h2-4,6-7H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyUJKFNZQZCVGUNM-FYZOBXCZSA-N
XLogP1.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride (CID 171243825) is (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride is Cl.Cn1cccc1[C@@H](N)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride?
The InChIKey is UJKFNZQZCVGUNM-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H10F2N2.ClH/c1-11-4-2-3-5(11)6(10)7(8)9;/h2-4,6-7H,10H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171243825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).