4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine

C14H16F3N3O — CID 18447272

IUPAC4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc3[nH]ncc3c2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)13-10-7-19-20-11(10)5-6-12(13)21-9-3-1-8(18)2-4-9/h5-9H,1-4,18H2,(H,19,20)
InChIKeyZREDJSHZKNGJSC-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.23
Rot. Bonds2

About 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine

4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine (PubChem CID 18447272) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine
PubChem CID18447272
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc3[nH]ncc3c2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)13-10-7-19-20-11(10)5-6-12(13)21-9-3-1-8(18)2-4-9/h5-9H,1-4,18H2,(H,19,20)
InChIKeyZREDJSHZKNGJSC-UHFFFAOYSA-N
XLogP3.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine (CID 18447272) is 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine is NC1CCC(Oc2ccc3[nH]ncc3c2C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine?
The InChIKey is ZREDJSHZKNGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)13-10-7-19-20-11(10)5-6-12(13)21-9-3-1-8(18)2-4-9/h5-9H,1-4,18H2,(H,19,20).
What are the key properties of 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine?
4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).