deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine

C60H49F7N2O3 — CID 159035635

IUPACdeuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine
SMILESCc1c(C=O)ccc2ccccc12.Cc1ccncc1.FC(F)(F)c1c(/C=C/c2ccncc2)ccc2ccccc12.O=Cc1ccc2ccccc2c1C(F)(F)F.OCc1ccc2ccccc2c1.[2H]CF
InChIInChI=1S/C18H12F3N.C12H7F3O.C12H10O.C11H10O.C6H7N.CH3F/c19-18(20,21)17-15(6-5-13-9-11-22-12-10-13)8-7-14-3-1-2-4-16(14)17;13-12(14,15)11-9(7-16)6-5-8-3-1-2-4-10(8)11;1-9-11(8-13)7-6-10-4-2-3-5-12(9)10;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-6-2-4-7-5-3-6;1-2/h1-12H;1-7H;2-8H,1H3;1-7,12H,8H2;2-5H,1H3;1H3/b6-5+;;;;;/i;;;;;1D
InChIKeyJVKSJWKFBNADDP-ATUCTNMCSA-N
MW980.06 g/mol
LogP16.36
Rot. Bonds5

About deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine

deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine (PubChem CID 159035635) has the molecular formula C60H49F7N2O3 and a molecular weight of 980.06 g/mol. Its IUPAC name is deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Namedeuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine
PubChem CID159035635
Molecular FormulaC60H49F7N2O3
Molecular Weight980.06 g/mol
Exact Mass979.37
IUPAC Namedeuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine
SMILESCc1c(C=O)ccc2ccccc12.Cc1ccncc1.FC(F)(F)c1c(/C=C/c2ccncc2)ccc2ccccc12.O=Cc1ccc2ccccc2c1C(F)(F)F.OCc1ccc2ccccc2c1.[2H]CF
InChIInChI=1S/C18H12F3N.C12H7F3O.C12H10O.C11H10O.C6H7N.CH3F/c19-18(20,21)17-15(6-5-13-9-11-22-12-10-13)8-7-14-3-1-2-4-16(14)17;13-12(14,15)11-9(7-16)6-5-8-3-1-2-4-10(8)11;1-9-11(8-13)7-6-10-4-2-3-5-12(9)10;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-6-2-4-7-5-3-6;1-2/h1-12H;1-7H;2-8H,1H3;1-7,12H,8H2;2-5H,1H3;1H3/b6-5+;;;;;/i;;;;;1D
InChIKeyJVKSJWKFBNADDP-ATUCTNMCSA-N
XLogP16.36
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.06
LogP ≤ 516.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine?
The IUPAC name of deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine (CID 159035635) is deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine.
What is the SMILES notation for deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine?
The canonical SMILES for deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine is Cc1c(C=O)ccc2ccccc12.Cc1ccncc1.FC(F)(F)c1c(/C=C/c2ccncc2)ccc2ccccc12.O=Cc1ccc2ccccc2c1C(F)(F)F.OCc1ccc2ccccc2c1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine?
The InChIKey is JVKSJWKFBNADDP-ATUCTNMCSA-N. The full InChI is InChI=1S/C18H12F3N.C12H7F3O.C12H10O.C11H10O.C6H7N.CH3F/c19-18(20,21)17-15(6-5-13-9-11-22-12-10-13)8-7-14-3-1-2-4-16(14)17;13-12(14,15)11-9(7-16)6-5-8-3-1-2-4-10(8)11;1-9-11(8-13)7-6-10-4-2-3-5-12(9)10;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-6-2-4-7-5-3-6;1-2/h1-12H;1-7H;2-8H,1H3;1-7,12H,8H2;2-5H,1H3;1H3/b6-5+;;;;;/i;;;;;1D.
What are the key properties of deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine?
deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine has a molecular weight of 980.06 g/mol, XLogP of 16.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine is sourced from PubChem (CID 159035635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).