1-(trifluoromethyl)pyrrolidin-2-imine

C5H7F3N2 — CID 54270871

IUPAC1-(trifluoromethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c6-5(7,8)10-3-1-2-4(10)9/h9H,1-3H2/b9-4+
InChIKeyRKAJDNDZECFCPA-RUDMXATFSA-N
MW152.12 g/mol
LogP1.58
Rot. Bonds

About 1-(trifluoromethyl)pyrrolidin-2-imine

1-(trifluoromethyl)pyrrolidin-2-imine (PubChem CID 54270871) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrolidin-2-imine
PubChem CID54270871
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-(trifluoromethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c6-5(7,8)10-3-1-2-4(10)9/h9H,1-3H2/b9-4+
InChIKeyRKAJDNDZECFCPA-RUDMXATFSA-N
XLogP1.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.58
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?
The IUPAC name of 1-(trifluoromethyl)pyrrolidin-2-imine (CID 54270871) is 1-(trifluoromethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(trifluoromethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(trifluoromethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)pyrrolidin-2-imine?
The InChIKey is RKAJDNDZECFCPA-RUDMXATFSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)10-3-1-2-4(10)9/h9H,1-3H2/b9-4+.
What are the key properties of 1-(trifluoromethyl)pyrrolidin-2-imine?
1-(trifluoromethyl)pyrrolidin-2-imine has a molecular weight of 152.12 g/mol, XLogP of 1.58, 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 is sourced from PubChem (CID 54270871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).