N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine

C24H11F10NO — CID 15099819

IUPACN-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine
SMILESCNC1(c2c(F)c(F)c(F)c(F)c2F)C=C(c2ccccc2)C=C(c2c(F)c(F)c(F)c(F)c2F)O1
InChIInChI=1S/C24H11F10NO/c1-35-24(13-16(27)20(31)23(34)21(32)17(13)28)8-10(9-5-3-2-4-6-9)7-11(36-24)12-14(25)18(29)22(33)19(30)15(12)26/h2-8,35H,1H3
InChIKeyNKPLATZORPQDRP-UHFFFAOYSA-N
MW519.34 g/mol
LogP6.60
Rot. Bonds4

About N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine

N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine (PubChem CID 15099819) has the molecular formula C24H11F10NO and a molecular weight of 519.34 g/mol. Its IUPAC name is N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine.

Molecular Properties

Compound NameN-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine
PubChem CID15099819
Molecular FormulaC24H11F10NO
Molecular Weight519.34 g/mol
Exact Mass519.07
IUPAC NameN-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine
SMILESCNC1(c2c(F)c(F)c(F)c(F)c2F)C=C(c2ccccc2)C=C(c2c(F)c(F)c(F)c(F)c2F)O1
InChIInChI=1S/C24H11F10NO/c1-35-24(13-16(27)20(31)23(34)21(32)17(13)28)8-10(9-5-3-2-4-6-9)7-11(36-24)12-14(25)18(29)22(33)19(30)15(12)26/h2-8,35H,1H3
InChIKeyNKPLATZORPQDRP-UHFFFAOYSA-N
XLogP6.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.34
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 57345386
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CID 70599200
N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 76518446
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy-phenylmethyl]ethanamine
CID 134172341
4-(3,3,4,4,5,5-Hexafluoro-2-phenylcyclopenten-1-yl)-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
CID 162575247
N-{2-[bis(4-fluorophenyl)methoxy]ethyl}-N-[bis(4-fluorophenyl)methyl]amine
CID 4301453
(4S)-6-(4-fluorophenyl)-4-phenyl-5-phenylselanyl-3,4-dihydro-1,3-oxazin-2-one
CID 122212577
4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
CID 136867228
N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
CID 136867229
(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole
CID 143692656
(1S)-N-methyl-1-phenyl-1-[(2Z,4E,6E)-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-yl]oxymethanamine
CID 177971295
N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine
CID 12753129

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine?
The IUPAC name of N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine (CID 15099819) is N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine.
What is the SMILES notation for N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine?
The canonical SMILES for N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine is CNC1(c2c(F)c(F)c(F)c(F)c2F)C=C(c2ccccc2)C=C(c2c(F)c(F)c(F)c(F)c2F)O1.
What is the InChIKey of N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine?
The InChIKey is NKPLATZORPQDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11F10NO/c1-35-24(13-16(27)20(31)23(34)21(32)17(13)28)8-10(9-5-3-2-4-6-9)7-11(36-24)12-14(25)18(29)22(33)19(30)15(12)26/h2-8,35H,1H3.
What are the key properties of N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine?
N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine has a molecular weight of 519.34 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)-4-phenylpyran-2-amine is sourced from PubChem (CID 15099819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).