7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H12F6N2 — CID 166499529

IUPAC7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC1=CC(C(F)(F)F)=CN2CC3(CCCc4c3ccc(F)c4F)N=C12
InChIInChI=1S/C17H12F6N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2
InChIKeyGVLPJEFWOKKQRK-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.52
Rot. Bonds

About 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499529) has the molecular formula C17H12F6N2 and a molecular weight of 358.29 g/mol. Its IUPAC name is 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499529
Molecular FormulaC17H12F6N2
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC1=CC(C(F)(F)F)=CN2CC3(CCCc4c3ccc(F)c4F)N=C12
InChIInChI=1S/C17H12F6N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2
InChIKeyGVLPJEFWOKKQRK-UHFFFAOYSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499529) is 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is FC1=CC(C(F)(F)F)=CN2CC3(CCCc4c3ccc(F)c4F)N=C12.
What is the InChIKey of 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is GVLPJEFWOKKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2/c18-12-4-3-11-10(14(12)20)2-1-5-16(11)8-25-7-9(17(21,22)23)6-13(19)15(25)24-16/h3-4,6-7H,1-2,5,8H2.
What are the key properties of 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 358.29 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8'-trifluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).