(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride

C7H11ClF3N — CID 167395794

IUPAC(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
SMILESC/C(=C1/CCNC1)C(F)(F)F.Cl
InChIInChI=1S/C7H10F3N.ClH/c1-5(7(8,9)10)6-2-3-11-4-6;/h11H,2-4H2,1H3;1H/b6-5+;
InChIKeyWLHHRNLRPYDHRN-IPZCTEOASA-N
MW201.62 g/mol
LogP2.28
Rot. Bonds

About (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride

(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride (PubChem CID 167395794) has the molecular formula C7H11ClF3N and a molecular weight of 201.62 g/mol. Its IUPAC name is (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
PubChem CID167395794
Molecular FormulaC7H11ClF3N
Molecular Weight201.62 g/mol
Exact Mass201.05
IUPAC Name(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
SMILESC/C(=C1/CCNC1)C(F)(F)F.Cl
InChIInChI=1S/C7H10F3N.ClH/c1-5(7(8,9)10)6-2-3-11-4-6;/h11H,2-4H2,1H3;1H/b6-5+;
InChIKeyWLHHRNLRPYDHRN-IPZCTEOASA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride?
The IUPAC name of (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride (CID 167395794) is (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride.
What is the SMILES notation for (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride?
The canonical SMILES for (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride is C/C(=C1/CCNC1)C(F)(F)F.Cl.
What is the InChIKey of (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride?
The InChIKey is WLHHRNLRPYDHRN-IPZCTEOASA-N. The full InChI is InChI=1S/C7H10F3N.ClH/c1-5(7(8,9)10)6-2-3-11-4-6;/h11H,2-4H2,1H3;1H/b6-5+;.
What are the key properties of (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride?
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride has a molecular weight of 201.62 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride is sourced from PubChem (CID 167395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).