2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine

C10H19FN4 — CID 112566469

IUPAC2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCn1ncnc1CC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H19FN4/c1-9(2,3)10(11,6-12)5-8-13-7-14-15(8)4/h7H,5-6,12H2,1-4H3
InChIKeyLFSASOLYPBVGSI-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.07
Rot. Bonds3

About 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine

2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 112566469) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID112566469
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCn1ncnc1CC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H19FN4/c1-9(2,3)10(11,6-12)5-8-13-7-14-15(8)4/h7H,5-6,12H2,1-4H3
InChIKeyLFSASOLYPBVGSI-UHFFFAOYSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 112566469) is 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is Cn1ncnc1CC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is LFSASOLYPBVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-9(2,3)10(11,6-12)5-8-13-7-14-15(8)4/h7H,5-6,12H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 112566469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).