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

C19H19F5N2O — CID 166817316

IUPAC(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2(C)N1
InChIInChI=1S/C19H19F5N2O/c1-17-15(20)8-11(19(22,23)24)9-26(17)10-18(25-17)7-3-4-12-13(18)5-6-14(27-2)16(12)21/h5-6,8-9,25H,3-4,7,10H2,1-2H3/t17?,18-/m1/s1
InChIKeyCXWXKYYQONUSOW-QRWMCTBCSA-N
MW386.36 g/mol
LogP4.30
Rot. Bonds1

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

(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene] (PubChem CID 166817316) has the molecular formula C19H19F5N2O and a molecular weight of 386.36 g/mol. Its IUPAC name is (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene].

Molecular Properties

Compound Name(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]
PubChem CID166817316
Molecular FormulaC19H19F5N2O
Molecular Weight386.36 g/mol
Exact Mass386.14
IUPAC Name(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2(C)N1
InChIInChI=1S/C19H19F5N2O/c1-17-15(20)8-11(19(22,23)24)9-26(17)10-18(25-17)7-3-4-12-13(18)5-6-14(27-2)16(12)21/h5-6,8-9,25H,3-4,7,10H2,1-2H3/t17?,18-/m1/s1
InChIKeyCXWXKYYQONUSOW-QRWMCTBCSA-N
XLogP4.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]?
The IUPAC name of (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene] (CID 166817316) is (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene].
What is the SMILES notation for (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]?
The canonical SMILES for (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene] is COc1ccc2c(c1F)CCC[C@@]21CN2C=C(C(F)(F)F)C=C(F)C2(C)N1.
What is the InChIKey of (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]?
The InChIKey is CXWXKYYQONUSOW-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H19F5N2O/c1-17-15(20)8-11(19(22,23)24)9-26(17)10-18(25-17)7-3-4-12-13(18)5-6-14(27-2)16(12)21/h5-6,8-9,25H,3-4,7,10H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene]?
(2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene] has a molecular weight of 386.36 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8,8'-difluoro-7'-methoxy-8a-methyl-6-(trifluoromethyl)spiro[1,3-dihydroimidazo[1,2-a]pyridine-2,4'-2,3-dihydro-1H-naphthalene] is sourced from PubChem (CID 166817316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).