4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole

C10H15F2N3 — CID 139525506

IUPAC4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole
SMILESCC(C)C1(c2cnn(C)n2)CC(F)(F)C1
InChIInChI=1S/C10H15F2N3/c1-7(2)9(5-10(11,12)6-9)8-4-13-15(3)14-8/h4,7H,5-6H2,1-3H3
InChIKeyUKIZSDAMZNWDLV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.14
Rot. Bonds2

About 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole

4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole (PubChem CID 139525506) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole
PubChem CID139525506
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole
SMILESCC(C)C1(c2cnn(C)n2)CC(F)(F)C1
InChIInChI=1S/C10H15F2N3/c1-7(2)9(5-10(11,12)6-9)8-4-13-15(3)14-8/h4,7H,5-6H2,1-3H3
InChIKeyUKIZSDAMZNWDLV-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole?
The IUPAC name of 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole (CID 139525506) is 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole.
What is the SMILES notation for 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole?
The canonical SMILES for 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole is CC(C)C1(c2cnn(C)n2)CC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole?
The InChIKey is UKIZSDAMZNWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-7(2)9(5-10(11,12)6-9)8-4-13-15(3)14-8/h4,7H,5-6H2,1-3H3.
What are the key properties of 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole?
4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole has a molecular weight of 215.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole is sourced from PubChem (CID 139525506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).