N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine

C8H14F3N3 — CID 18428550

IUPACN'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine
SMILESNCCNC1=NCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12/h6H,1-5,12H2,(H,13,14)
InChIKeyKRFBTWISZPJECT-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.91
Rot. Bonds2

About N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine

N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine (PubChem CID 18428550) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine
PubChem CID18428550
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC NameN'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine
SMILESNCCNC1=NCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12/h6H,1-5,12H2,(H,13,14)
InChIKeyKRFBTWISZPJECT-UHFFFAOYSA-N
XLogP0.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine (CID 18428550) is N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine is NCCNC1=NCC(C(F)(F)F)CC1.
What is the InChIKey of N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine?
The InChIKey is KRFBTWISZPJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12/h6H,1-5,12H2,(H,13,14).
What are the key properties of N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine?
N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine has a molecular weight of 209.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 18428550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).