N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine

C16H31F3N2 — CID 115517230

IUPACN,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
SMILESCCNC(CCCC(F)(F)F)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H31F3N2/c1-4-15(5-2,21-12-7-8-13-21)14(20-6-3)10-9-11-16(17,18)19/h14,20H,4-13H2,1-3H3
InChIKeyISSLLRMZRCTKCJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.35
Rot. Bonds9

About N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine

N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 115517230) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
PubChem CID115517230
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC NameN,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
SMILESCCNC(CCCC(F)(F)F)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H31F3N2/c1-4-15(5-2,21-12-7-8-13-21)14(20-6-3)10-9-11-16(17,18)19/h14,20H,4-13H2,1-3H3
InChIKeyISSLLRMZRCTKCJ-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine (CID 115517230) is N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine is CCNC(CCCC(F)(F)F)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is ISSLLRMZRCTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-15(5-2,21-12-7-8-13-21)14(20-6-3)10-9-11-16(17,18)19/h14,20H,4-13H2,1-3H3.
What are the key properties of N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine?
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 308.43 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 115517230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).