(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride

C8H10ClF5N2 — CID 171311904

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N2.ClH/c1-15-4-2-3-5(15)6(14)7(9,10)8(11,12)13;/h2-4,6H,14H2,1H3;1H/t6-;/m0./s1
InChIKeyYIANTOARXVESBB-RGMNGODLSA-N
MW264.63 g/mol
LogP2.64
Rot. Bonds2

About (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride

(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride (PubChem CID 171311904) has the molecular formula C8H10ClF5N2 and a molecular weight of 264.63 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride
PubChem CID171311904
Molecular FormulaC8H10ClF5N2
Molecular Weight264.63 g/mol
Exact Mass264.05
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N2.ClH/c1-15-4-2-3-5(15)6(14)7(9,10)8(11,12)13;/h2-4,6H,14H2,1H3;1H/t6-;/m0./s1
InChIKeyYIANTOARXVESBB-RGMNGODLSA-N
XLogP2.64
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride (CID 171311904) is (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride is Cl.Cn1cccc1[C@H](N)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride?
The InChIKey is YIANTOARXVESBB-RGMNGODLSA-N. The full InChI is InChI=1S/C8H9F5N2.ClH/c1-15-4-2-3-5(15)6(14)7(9,10)8(11,12)13;/h2-4,6H,14H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride?
(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride has a molecular weight of 264.63 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171311904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).