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

C18H13F7N2O — CID 166499549

IUPAC(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13F7N2O/c19-12-4-3-11-10(14(12)20)2-1-5-17(11)8-27-7-9(18(23,24)25)6-13(15(27)26-17)28-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1
InChIKeyZGZLECDODQHAHI-QGZVFWFLSA-N
MW406.30 g/mol
LogP4.79
Rot. Bonds2

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

(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499549) has the molecular formula C18H13F7N2O and a molecular weight of 406.30 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499549
Molecular FormulaC18H13F7N2O
Molecular Weight406.30 g/mol
Exact Mass406.09
IUPAC Name(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13F7N2O/c19-12-4-3-11-10(14(12)20)2-1-5-17(11)8-27-7-9(18(23,24)25)6-13(15(27)26-17)28-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1
InChIKeyZGZLECDODQHAHI-QGZVFWFLSA-N
XLogP4.79
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-8'-(difluoromethoxy)-7,8-difluoro-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'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499549) is (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is ZGZLECDODQHAHI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13F7N2O/c19-12-4-3-11-10(14(12)20)2-1-5-17(11)8-27-7-9(18(23,24)25)6-13(15(27)26-17)28-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 406.30 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-7,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).