N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C8H11F4N3 — CID 141194086

IUPACN-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCC(NCCF)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H11F4N3/c1-5(13-3-2-9)6-4-14-15-7(6)8(10,11)12/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyNNRXQTUJWTUAOB-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.05
Rot. Bonds4

About N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 141194086) has the molecular formula C8H11F4N3 and a molecular weight of 225.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID141194086
Molecular FormulaC8H11F4N3
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC NameN-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCC(NCCF)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H11F4N3/c1-5(13-3-2-9)6-4-14-15-7(6)8(10,11)12/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyNNRXQTUJWTUAOB-UHFFFAOYSA-N
XLogP2.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 141194086) is N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is CC(NCCF)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is NNRXQTUJWTUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3/c1-5(13-3-2-9)6-4-14-15-7(6)8(10,11)12/h4-5,13H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 225.19 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 141194086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).