3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine

C7H10F2N4 — CID 154685566

IUPAC3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine
SMILESNC1(c2cn[nH]n2)CCC(F)(F)C1
InChIInChI=1S/C7H10F2N4/c8-7(9)2-1-6(10,4-7)5-3-11-13-12-5/h3H,1-2,4,10H2,(H,11,12,13)
InChIKeyGEOQKAQMFXDSEQ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.78
Rot. Bonds1

About 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine

3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine (PubChem CID 154685566) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine
PubChem CID154685566
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine
SMILESNC1(c2cn[nH]n2)CCC(F)(F)C1
InChIInChI=1S/C7H10F2N4/c8-7(9)2-1-6(10,4-7)5-3-11-13-12-5/h3H,1-2,4,10H2,(H,11,12,13)
InChIKeyGEOQKAQMFXDSEQ-UHFFFAOYSA-N
XLogP0.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine?
The IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine (CID 154685566) is 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine?
The canonical SMILES for 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine is NC1(c2cn[nH]n2)CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine?
The InChIKey is GEOQKAQMFXDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)2-1-6(10,4-7)5-3-11-13-12-5/h3H,1-2,4,10H2,(H,11,12,13).
What are the key properties of 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine?
3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine has a molecular weight of 188.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2H-triazol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 154685566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).