1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol

C14H19F3N2O2 — CID 163867657

IUPAC1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
SMILESCCOC(O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1
InChIInChI=1S/C14H19F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h10,20H,2-8H2,1H3
InChIKeyPIBDITYYKRLRRP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.62
Rot. Bonds4

About 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol

1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol (PubChem CID 163867657) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol.

Molecular Properties

Compound Name1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
PubChem CID163867657
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
SMILESCCOC(O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1
InChIInChI=1S/C14H19F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h10,20H,2-8H2,1H3
InChIKeyPIBDITYYKRLRRP-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol with MolForge

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Related Compounds

ethyl 2-(3'-(trifluoromethyl)-6',7'-dihydrospiro[cyclopropane-1,4'-indazole]-1'(5'H)-yl)acetate
CID 86719812
methyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate
CID 90162716
2-[3-(Difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]ethane-1,1-diol
CID 144506077
2-[4-(2-Aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592912
2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 121214608
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethane-1,1-diol
CID 162569789
2-(3-cyclopropyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol
CID 141028838
2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol
CID 141028846
2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol
CID 141028867
2-(3-Tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
CID 141028868
2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol
CID 141028870
2-(3-Cyclopropyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
CID 141028876

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol?
The IUPAC name of 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol (CID 163867657) is 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol.
What is the SMILES notation for 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol?
The canonical SMILES for 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol is CCOC(O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1.
What is the InChIKey of 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol?
The InChIKey is PIBDITYYKRLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h10,20H,2-8H2,1H3.
What are the key properties of 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol?
1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol has a molecular weight of 304.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol is sourced from PubChem (CID 163867657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).