(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol

C22H10F10N2O — CID 134941752

IUPAC(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol
SMILESOC(c1cc(C(c2ccc[nH]2)c2c(F)c(F)c(F)c(F)c2F)c[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H10F10N2O/c23-12-10(13(24)17(28)20(31)16(12)27)9(7-2-1-3-33-7)6-4-8(34-5-6)22(35)11-14(25)18(29)21(32)19(30)15(11)26/h1-5,9,22,33-35H
InChIKeyPGJIYHMZWOJBFL-UHFFFAOYSA-N
MW508.32 g/mol
LogP6.00
Rot. Bonds5

About (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol

(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol (PubChem CID 134941752) has the molecular formula C22H10F10N2O and a molecular weight of 508.32 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol
PubChem CID134941752
Molecular FormulaC22H10F10N2O
Molecular Weight508.32 g/mol
Exact Mass508.06
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol
SMILESOC(c1cc(C(c2ccc[nH]2)c2c(F)c(F)c(F)c(F)c2F)c[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H10F10N2O/c23-12-10(13(24)17(28)20(31)16(12)27)9(7-2-1-3-33-7)6-4-8(34-5-6)22(35)11-14(25)18(29)21(32)19(30)15(11)26/h1-5,9,22,33-35H
InChIKeyPGJIYHMZWOJBFL-UHFFFAOYSA-N
XLogP6.00
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.32
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol (CID 134941752) is (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol is OC(c1cc(C(c2ccc[nH]2)c2c(F)c(F)c(F)c(F)c2F)c[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol?
The InChIKey is PGJIYHMZWOJBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F10N2O/c23-12-10(13(24)17(28)20(31)16(12)27)9(7-2-1-3-33-7)6-4-8(34-5-6)22(35)11-14(25)18(29)21(32)19(30)15(11)26/h1-5,9,22,33-35H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol?
(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol has a molecular weight of 508.32 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 134941752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).