N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine

C10H11F6N3 — CID 140916045

IUPACN,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine
SMILESCC(C)n1nc(N(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H11F6N3/c1-5(2)18-7-6(8(17-18)19(15)16)9(11,12)3-4-10(7,13)14/h5H,3-4H2,1-2H3
InChIKeyDSOVGGQRMFRUDM-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.02
Rot. Bonds2

About N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine

N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine (PubChem CID 140916045) has the molecular formula C10H11F6N3 and a molecular weight of 287.21 g/mol. Its IUPAC name is N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine.

Molecular Properties

Compound NameN,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine
PubChem CID140916045
Molecular FormulaC10H11F6N3
Molecular Weight287.21 g/mol
Exact Mass287.09
IUPAC NameN,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine
SMILESCC(C)n1nc(N(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H11F6N3/c1-5(2)18-7-6(8(17-18)19(15)16)9(11,12)3-4-10(7,13)14/h5H,3-4H2,1-2H3
InChIKeyDSOVGGQRMFRUDM-UHFFFAOYSA-N
XLogP4.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine?
The IUPAC name of N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine (CID 140916045) is N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine.
What is the SMILES notation for N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine?
The canonical SMILES for N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine is CC(C)n1nc(N(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine?
The InChIKey is DSOVGGQRMFRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3/c1-5(2)18-7-6(8(17-18)19(15)16)9(11,12)3-4-10(7,13)14/h5H,3-4H2,1-2H3.
What are the key properties of N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine?
N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine has a molecular weight of 287.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4,7,7-hexafluoro-1-propan-2-yl-5,6-dihydroindazol-3-amine is sourced from PubChem (CID 140916045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).