3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine

C11H19F3N2 — CID 168883648

IUPAC3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
SMILESC=C1CNC(CCN(C)CCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeySRJGPWRTHKGAAZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine (PubChem CID 168883648) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
PubChem CID168883648
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
SMILESC=C1CNC(CCN(C)CCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeySRJGPWRTHKGAAZ-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine (CID 168883648) is 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine is C=C1CNC(CCN(C)CCC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine?
The InChIKey is SRJGPWRTHKGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14/h10,15H,1,3-8H2,2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 168883648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).