(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile

C19H12F7N3O — CID 166499676

IUPAC(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1F)[C@@H](F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C19H12F7N3O/c20-12-3-4-18(11-2-1-9(6-27)15(21)14(11)12)8-29-7-10(19(24,25)26)5-13(16(29)28-18)30-17(22)23/h1-2,5,7,12,17H,3-4,8H2/t12-,18+/m0/s1
InChIKeyPWPBOTBNSLMIIL-KPZWWZAWSA-N
MW431.31 g/mol
LogP4.99
Rot. Bonds2

About (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile

(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile (PubChem CID 166499676) has the molecular formula C19H12F7N3O and a molecular weight of 431.31 g/mol. Its IUPAC name is (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile.

Molecular Properties

Compound Name(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
PubChem CID166499676
Molecular FormulaC19H12F7N3O
Molecular Weight431.31 g/mol
Exact Mass431.09
IUPAC Name(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1F)[C@@H](F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C19H12F7N3O/c20-12-3-4-18(11-2-1-9(6-27)15(21)14(11)12)8-29-7-10(19(24,25)26)5-13(16(29)28-18)30-17(22)23/h1-2,5,7,12,17H,3-4,8H2/t12-,18+/m0/s1
InChIKeyPWPBOTBNSLMIIL-KPZWWZAWSA-N
XLogP4.99
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The IUPAC name of (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile (CID 166499676) is (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile.
What is the SMILES notation for (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The canonical SMILES for (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile is N#Cc1ccc2c(c1F)[C@@H](F)CC[C@@]21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The InChIKey is PWPBOTBNSLMIIL-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H12F7N3O/c20-12-3-4-18(11-2-1-9(6-27)15(21)14(11)12)8-29-7-10(19(24,25)26)5-13(16(29)28-18)30-17(22)23/h1-2,5,7,12,17H,3-4,8H2/t12-,18+/m0/s1.
What are the key properties of (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
(2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile has a molecular weight of 431.31 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8'S)-8-(difluoromethoxy)-1',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile is sourced from PubChem (CID 166499676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).