2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine

C5H8F2N4 — CID 115406987

IUPAC2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESFC(F)CNCc1cn[nH]n1
InChIInChI=1S/C5H8F2N4/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2,(H,9,10,11)
InChIKeyXGOUDJHTDPEDGX-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.16
Rot. Bonds4

About 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine

2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine (PubChem CID 115406987) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
PubChem CID115406987
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESFC(F)CNCc1cn[nH]n1
InChIInChI=1S/C5H8F2N4/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2,(H,9,10,11)
InChIKeyXGOUDJHTDPEDGX-UHFFFAOYSA-N
XLogP0.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]ethanamine
CID 80698065
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)acetamide
CID 101584665
4,4,4-trifluoro-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 141530376
N-(difluoromethyl)-2H-triazole-4-carbothioamide
CID 151995430
N-[[1-(difluoromethyl)triazol-4-yl]methyl]propan-2-amine
CID 172205535
1-[[2-(2,2,2-Trifluoroethyl)triazol-4-yl]methyl]piperazine
CID 174286547
piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride
CID 174771610
Allyl-(triazolylmethyl)amine
CID 129873951
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 61318528

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine (CID 115406987) is 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine is FC(F)CNCc1cn[nH]n1.
What is the InChIKey of 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine?
The InChIKey is XGOUDJHTDPEDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2,(H,9,10,11).
What are the key properties of 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine?
2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine has a molecular weight of 162.14 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 115406987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).