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

C8H14F2N4 — CID 165462663

IUPAC2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine
SMILESCC(C)NCC(F)(F)Cn1ccnn1
InChIInChI=1S/C8H14F2N4/c1-7(2)11-5-8(9,10)6-14-4-3-12-13-14/h3-4,7,11H,5-6H2,1-2H3
InChIKeyPZSSBYOVKJFVLD-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.91
Rot. Bonds5

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

2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine (PubChem CID 165462663) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine
PubChem CID165462663
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine
SMILESCC(C)NCC(F)(F)Cn1ccnn1
InChIInChI=1S/C8H14F2N4/c1-7(2)11-5-8(9,10)6-14-4-3-12-13-14/h3-4,7,11H,5-6H2,1-2H3
InChIKeyPZSSBYOVKJFVLD-UHFFFAOYSA-N
XLogP0.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374919
(2S)-2-methyl-3-(triazol-1-yl)propanenitrile
CID 170631739
4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one
CID 159039120
N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
CID 83108468
(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
CID 170534885
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
triazol-1-ylmethanol
CID 15568557
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine (CID 165462663) is 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine is CC(C)NCC(F)(F)Cn1ccnn1.
What is the InChIKey of 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine?
The InChIKey is PZSSBYOVKJFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-7(2)11-5-8(9,10)6-14-4-3-12-13-14/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine?
2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine has a molecular weight of 204.22 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-propan-2-yl-3-(triazol-1-yl)propan-1-amine is sourced from PubChem (CID 165462663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).