2-(2,2-difluoroethyl)triazol-4-amine

C4H6F2N4 — CID 146075351

IUPAC2-(2,2-difluoroethyl)triazol-4-amine
SMILESNc1cnn(CC(F)F)n1
InChIInChI=1S/C4H6F2N4/c5-3(6)2-10-8-1-4(7)9-10/h1,3H,2H2,(H2,7,9)
InChIKeyKIHHSUJCKWBSKH-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.13
Rot. Bonds2

About 2-(2,2-difluoroethyl)triazol-4-amine

2-(2,2-difluoroethyl)triazol-4-amine (PubChem CID 146075351) has the molecular formula C4H6F2N4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)triazol-4-amine
PubChem CID146075351
Molecular FormulaC4H6F2N4
Molecular Weight148.12 g/mol
Exact Mass148.06
IUPAC Name2-(2,2-difluoroethyl)triazol-4-amine
SMILESNc1cnn(CC(F)F)n1
InChIInChI=1S/C4H6F2N4/c5-3(6)2-10-8-1-4(7)9-10/h1,3H,2H2,(H2,7,9)
InChIKeyKIHHSUJCKWBSKH-UHFFFAOYSA-N
XLogP0.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-difluoropropyl)triazol-4-amine
CID 84651323
2-(2-ethylbutyl)triazol-4-amine
CID 165481404
2-(2,2-difluoroethyl)-4-propan-2-yltriazole
CID 139305408
2-(3,3,3-trifluoropropyl)triazol-4-amine
CID 165472886
1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
CID 165463377
2-(difluoromethyl)triazol-4-amine
CID 86684082
2-[(2,3-difluorophenyl)methyl]triazol-4-amine
CID 165479947
2-(2-methylprop-2-enyl)triazol-4-amine
CID 165463371
2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
CID 165479364
2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
CID 165479941
2-heptyltriazol-4-amine
CID 165480790
2-(3-propan-2-yloxypropyl)triazol-4-amine
CID 165480310

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)triazol-4-amine?
The IUPAC name of 2-(2,2-difluoroethyl)triazol-4-amine (CID 146075351) is 2-(2,2-difluoroethyl)triazol-4-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)triazol-4-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)triazol-4-amine is Nc1cnn(CC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethyl)triazol-4-amine?
The InChIKey is KIHHSUJCKWBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4/c5-3(6)2-10-8-1-4(7)9-10/h1,3H,2H2,(H2,7,9).
What are the key properties of 2-(2,2-difluoroethyl)triazol-4-amine?
2-(2,2-difluoroethyl)triazol-4-amine has a molecular weight of 148.12 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)triazol-4-amine is sourced from PubChem (CID 146075351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).