(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]

C18H13F7N2O2 — CID 166499756

IUPAC(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OCCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13F7N2O2/c19-11-3-2-10-14(13(11)20)28-5-1-4-17(10)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h2-3,6-7,16H,1,4-5,8H2/t17-/m1/s1
InChIKeyRLMNBWKSPCZUMA-QGZVFWFLSA-N
MW422.30 g/mol
LogP4.63
Rot. Bonds2

About (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]

(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499756) has the molecular formula C18H13F7N2O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499756
Molecular FormulaC18H13F7N2O2
Molecular Weight422.30 g/mol
Exact Mass422.09
IUPAC Name(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1ccc2c(c1F)OCCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C18H13F7N2O2/c19-11-3-2-10-14(13(11)20)28-5-1-4-17(10)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h2-3,6-7,16H,1,4-5,8H2/t17-/m1/s1
InChIKeyRLMNBWKSPCZUMA-QGZVFWFLSA-N
XLogP4.63
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Related Compounds

US12226405, Example 43
CID 163892651
US12226405, Example 41
CID 166499546
US12226405, Example 45
CID 166499547
US12226405, Example 105
CID 166499559
US12226405, Example 69
CID 166499582
US12226405, Example 106
CID 166499626
US12226405, Example 53
CID 166499628
US12226405, Example 51
CID 166499631
US12226405, Example 46
CID 166499643
US12226405, Example 58
CID 166499651
US12226405, Example 50
CID 166499652
US12226405, Example 118
CID 166499655

Frequently Asked Questions

What is the IUPAC name of (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] (CID 166499756) is (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] is Fc1ccc2c(c1F)OCCC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is RLMNBWKSPCZUMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13F7N2O2/c19-11-3-2-10-14(13(11)20)28-5-1-4-17(10)8-27-7-9(18(23,24)25)6-12(15(27)26-17)29-16(21)22/h2-3,6-7,16H,1,4-5,8H2/t17-/m1/s1.
What are the key properties of (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]?
(5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 422.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8'-(difluoromethoxy)-8,9-difluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).