2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine

C8H11F2N3 — CID 119031269

IUPAC2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1CCC2
InChIInChI=1S/C8H11F2N3/c9-8(10,4-11)7-5-2-1-3-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKeyVQDRARPQSWQSGE-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.95
Rot. Bonds2

About 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine

2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine (PubChem CID 119031269) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine
PubChem CID119031269
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1CCC2
InChIInChI=1S/C8H11F2N3/c9-8(10,4-11)7-5-2-1-3-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKeyVQDRARPQSWQSGE-UHFFFAOYSA-N
XLogP0.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine (CID 119031269) is 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine is NCC(F)(F)c1n[nH]c2c1CCC2.
What is the InChIKey of 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine?
The InChIKey is VQDRARPQSWQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10,4-11)7-5-2-1-3-6(5)12-13-7/h1-4,11H2,(H,12,13).
What are the key properties of 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine?
2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine has a molecular weight of 187.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanamine is sourced from PubChem (CID 119031269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).