N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H10F4N4 — CID 107494264

IUPACN'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncc(F)cn1
InChIInChI=1S/C8H10F4N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2
InChIKeyZTPAMCHWXGOFCF-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.94
Rot. Bonds4

About N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494264) has the molecular formula C8H10F4N4 and a molecular weight of 238.19 g/mol. Its IUPAC name is N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494264
Molecular FormulaC8H10F4N4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC NameN'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncc(F)cn1
InChIInChI=1S/C8H10F4N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2
InChIKeyZTPAMCHWXGOFCF-UHFFFAOYSA-N
XLogP0.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
CID 107494274
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494359
N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494224
N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 107494092
N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494341

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494264) is N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ncc(F)cn1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZTPAMCHWXGOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2.
What are the key properties of N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 238.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).