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

C5H8F2N4 — CID 84651324

IUPAC2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(F)(F)Cn1cncn1
InChIInChI=1S/C5H8F2N4/c6-5(7,1-8)2-11-4-9-3-10-11/h3-4H,1-2,8H2
InChIKeyLZWDTSJRQIPFNC-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.13
Rot. Bonds3

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

2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 84651324) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID84651324
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(F)(F)Cn1cncn1
InChIInChI=1S/C5H8F2N4/c6-5(7,1-8)2-11-4-9-3-10-11/h3-4H,1-2,8H2
InChIKeyLZWDTSJRQIPFNC-UHFFFAOYSA-N
XLogP-0.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 84651324) is 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine is NCC(F)(F)Cn1cncn1.
What is the InChIKey of 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is LZWDTSJRQIPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-5(7,1-8)2-11-4-9-3-10-11/h3-4H,1-2,8H2.
What are the key properties of 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 162.14 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 84651324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).