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

C18H13BrF6N2O — CID 166499785

IUPAC(4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13BrF6N2O/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
InChIKeyFUGRYBVZNGPXKN-QGZVFWFLSA-N
MW467.21 g/mol
LogP5.42
Rot. Bonds2

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

(4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499785) has the molecular formula C18H13BrF6N2O and a molecular weight of 467.21 g/mol. Its IUPAC name is (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499785
Molecular FormulaC18H13BrF6N2O
Molecular Weight467.21 g/mol
Exact Mass466.01
IUPAC Name(4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13BrF6N2O/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
InChIKeyFUGRYBVZNGPXKN-QGZVFWFLSA-N
XLogP5.42
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.21
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

US12226405, Example 13
CID 163565572
US12226405, Example 4
CID 163597954
US12226405, Example 8
CID 164069857
US12226405, Example 91
CID 166499523
US12226405, Example 85
CID 166499549
US12226405, Example 17
CID 166499552
US12226405, Example 5
CID 166499564
US12226405, Example 72
CID 166499584
US12226405, Example 9
CID 166499622
US12226405, Example 11
CID 166499645
US12226405, Example 23
CID 166499647
US12226405, Example 35
CID 166499666

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499785) is (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is FUGRYBVZNGPXKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13BrF6N2O/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)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 467.21 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).