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

C13H27F3N2 — CID 168883374

IUPACethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine
SMILESCC.CC1CNC(CCN(C)CCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2.C2H6/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14;1-2/h9-10,15H,3-8H2,1-2H3;1-2H3
InChIKeyGFJCFCQFIGXIRT-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.28
Rot. Bonds5

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

ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine (PubChem CID 168883374) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine
PubChem CID168883374
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Nameethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine
SMILESCC.CC1CNC(CCN(C)CCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2.C2H6/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14;1-2/h9-10,15H,3-8H2,1-2H3;1-2H3
InChIKeyGFJCFCQFIGXIRT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine?
The IUPAC name of ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine (CID 168883374) is ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine is CC.CC1CNC(CCN(C)CCC(F)(F)F)C1.
What is the InChIKey of ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine?
The InChIKey is GFJCFCQFIGXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2.C2H6/c1-9-7-10(15-8-9)3-5-16(2)6-4-11(12,13)14;1-2/h9-10,15H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine?
ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine has a molecular weight of 268.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 168883374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).