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

C18H14ClF5N2O — CID 166499650

IUPAC(4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c(Cl)cccc43)N=C12
InChIInChI=1S/C18H14ClF5N2O/c19-13-5-1-4-12-11(13)3-2-6-17(12)9-26-8-10(18(22,23)24)7-14(15(26)25-17)27-16(20)21/h1,4-5,7-8,16H,2-3,6,9H2/t17-/m1/s1
InChIKeyLQVSXOAUDZORDQ-QGZVFWFLSA-N
MW404.77 g/mol
LogP5.17
Rot. Bonds2

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

(4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499650) has the molecular formula C18H14ClF5N2O and a molecular weight of 404.77 g/mol. Its IUPAC name is (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499650
Molecular FormulaC18H14ClF5N2O
Molecular Weight404.77 g/mol
Exact Mass404.07
IUPAC Name(4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c(Cl)cccc43)N=C12
InChIInChI=1S/C18H14ClF5N2O/c19-13-5-1-4-12-11(13)3-2-6-17(12)9-26-8-10(18(22,23)24)7-14(15(26)25-17)27-16(20)21/h1,4-5,7-8,16H,2-3,6,9H2/t17-/m1/s1
InChIKeyLQVSXOAUDZORDQ-QGZVFWFLSA-N
XLogP5.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-8-chloro-8'-(difluoromethoxy)-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-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499650) is (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c(Cl)cccc43)N=C12.
What is the InChIKey of (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is LQVSXOAUDZORDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14ClF5N2O/c19-13-5-1-4-12-11(13)3-2-6-17(12)9-26-8-10(18(22,23)24)7-14(15(26)25-17)27-16(20)21/h1,4-5,7-8,16H,2-3,6,9H2/t17-/m1/s1.
What are the key properties of (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 404.77 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-chloro-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).