(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

C8H12F3N — CID 155160951

IUPAC(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCN(C)C1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-
InChIKeyUGPBJGMILOVSSW-SREVYHEPSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds

About (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (PubChem CID 155160951) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
PubChem CID155160951
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCN(C)C1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-
InChIKeyUGPBJGMILOVSSW-SREVYHEPSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The IUPAC name of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (CID 155160951) is (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.
What is the SMILES notation for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The canonical SMILES for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is C/C(=C1\CCN(C)C1)C(F)(F)F.
What is the InChIKey of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The InChIKey is UGPBJGMILOVSSW-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-.
What are the key properties of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine has a molecular weight of 179.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is sourced from PubChem (CID 155160951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).