(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine

C11H19F3N2 — CID 167116215

IUPAC(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine
SMILESC/C=C(\N(C)C(C)C1CCCN1)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-4-10(11(12,13)14)16(3)8(2)9-6-5-7-15-9/h4,8-9,15H,5-7H2,1-3H3/b10-4-
InChIKeyZXRLUWSDBGFKJI-WMZJFQQLSA-N
MW236.28 g/mol
LogP2.52
Rot. Bonds3

About (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine

(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine (PubChem CID 167116215) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine
PubChem CID167116215
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine
SMILESC/C=C(\N(C)C(C)C1CCCN1)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-4-10(11(12,13)14)16(3)8(2)9-6-5-7-15-9/h4,8-9,15H,5-7H2,1-3H3/b10-4-
InChIKeyZXRLUWSDBGFKJI-WMZJFQQLSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine (CID 167116215) is (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine is C/C=C(\N(C)C(C)C1CCCN1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine?
The InChIKey is ZXRLUWSDBGFKJI-WMZJFQQLSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-4-10(11(12,13)14)16(3)8(2)9-6-5-7-15-9/h4,8-9,15H,5-7H2,1-3H3/b10-4-.
What are the key properties of (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine?
(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine is sourced from PubChem (CID 167116215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).