1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride

C5H8ClF3N2 — CID 140986446

IUPAC1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)10-3-1-2-4(10)9;/h9H,1-3H2;1H/b9-4+;
InChIKeyWEXQOKHCBOHIBR-JOKMOOFLSA-N
MW188.58 g/mol
LogP2.00
Rot. Bonds

About 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride

1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride (PubChem CID 140986446) has the molecular formula C5H8ClF3N2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride
PubChem CID140986446
Molecular FormulaC5H8ClF3N2
Molecular Weight188.58 g/mol
Exact Mass188.03
IUPAC Name1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)10-3-1-2-4(10)9;/h9H,1-3H2;1H/b9-4+;
InChIKeyWEXQOKHCBOHIBR-JOKMOOFLSA-N
XLogP2.00
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride (CID 140986446) is 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride is Cl.[H]/N=C1\CCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride?
The InChIKey is WEXQOKHCBOHIBR-JOKMOOFLSA-N. The full InChI is InChI=1S/C5H7F3N2.ClH/c6-5(7,8)10-3-1-2-4(10)9;/h9H,1-3H2;1H/b9-4+;.
What are the key properties of 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride?
1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride has a molecular weight of 188.58 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrolidin-2-imine;hydrochloride is sourced from PubChem (CID 140986446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).