N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C8H10F3N3 — CID 23293787

IUPACN'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12/h1-2,4H,3,5,12H2,(H,13,14)
InChIKeyLSVXEUKUUNCRMO-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.47
Rot. Bonds3

About N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 23293787) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID23293787
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12/h1-2,4H,3,5,12H2,(H,13,14)
InChIKeyLSVXEUKUUNCRMO-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.47
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-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 23293787) is N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is LSVXEUKUUNCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12/h1-2,4H,3,5,12H2,(H,13,14).
What are the key properties of N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 205.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 23293787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).