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

C18H15F5N2O — CID 166499587

IUPAC(4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCOc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2=N1
InChIInChI=1S/C18H15F5N2O/c1-26-14-5-4-12-11(15(14)20)3-2-6-17(12)9-25-8-10(18(21,22)23)7-13(19)16(25)24-17/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1
InChIKeyXQJBNSVQPXRROF-QGZVFWFLSA-N
MW370.32 g/mol
LogP4.39
Rot. Bonds1

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

(4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499587) has the molecular formula C18H15F5N2O and a molecular weight of 370.32 g/mol. Its IUPAC name is (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499587
Molecular FormulaC18H15F5N2O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name(4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCOc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2=N1
InChIInChI=1S/C18H15F5N2O/c1-26-14-5-4-12-11(15(14)20)3-2-6-17(12)9-25-8-10(18(21,22)23)7-13(19)16(25)24-17/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1
InChIKeyXQJBNSVQPXRROF-QGZVFWFLSA-N
XLogP4.39
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499587) is (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is COc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2=N1.
What is the InChIKey of (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is XQJBNSVQPXRROF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F5N2O/c1-26-14-5-4-12-11(15(14)20)3-2-6-17(12)9-25-8-10(18(21,22)23)7-13(19)16(25)24-17/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 370.32 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8,8'-difluoro-7-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).