2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine

C11H17F2N3 — CID 165469468

IUPAC2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine
SMILESCCCCn1nc2c(c1N)CC(F)(F)CC2
InChIInChI=1S/C11H17F2N3/c1-2-3-6-16-10(14)8-7-11(12,13)5-4-9(8)15-16/h2-7,14H2,1H3
InChIKeyLOELGCRCBWPBSC-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.39
Rot. Bonds3

About 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine

2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine (PubChem CID 165469468) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine.

Molecular Properties

Compound Name2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine
PubChem CID165469468
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine
SMILESCCCCn1nc2c(c1N)CC(F)(F)CC2
InChIInChI=1S/C11H17F2N3/c1-2-3-6-16-10(14)8-7-11(12,13)5-4-9(8)15-16/h2-7,14H2,1H3
InChIKeyLOELGCRCBWPBSC-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine?
The IUPAC name of 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine (CID 165469468) is 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine.
What is the SMILES notation for 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine?
The canonical SMILES for 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine is CCCCn1nc2c(c1N)CC(F)(F)CC2.
What is the InChIKey of 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine?
The InChIKey is LOELGCRCBWPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-2-3-6-16-10(14)8-7-11(12,13)5-4-9(8)15-16/h2-7,14H2,1H3.
What are the key properties of 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine?
2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine has a molecular weight of 229.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-difluoro-6,7-dihydro-4H-indazol-3-amine is sourced from PubChem (CID 165469468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).