2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol

C10H10F5NO3 — CID 107849369

IUPAC2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO3/c11-4-5(12)7(14)9(8(15)6(4)13)16-10(1-17,2-18)3-19/h16-19H,1-3H2
InChIKeyCKIXFZSFILUYHT-UHFFFAOYSA-N
MW287.18 g/mol
LogP0.51
Rot. Bonds5

About 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol

2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol (PubChem CID 107849369) has the molecular formula C10H10F5NO3 and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol
PubChem CID107849369
Molecular FormulaC10H10F5NO3
Molecular Weight287.18 g/mol
Exact Mass287.06
IUPAC Name2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO3/c11-4-5(12)7(14)9(8(15)6(4)13)16-10(1-17,2-18)3-19/h16-19H,1-3H2
InChIKeyCKIXFZSFILUYHT-UHFFFAOYSA-N
XLogP0.51
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol (CID 107849369) is 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol is OCC(CO)(CO)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol?
The InChIKey is CKIXFZSFILUYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO3/c11-4-5(12)7(14)9(8(15)6(4)13)16-10(1-17,2-18)3-19/h16-19H,1-3H2.
What are the key properties of 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol?
2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol has a molecular weight of 287.18 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2,3,4,5,6-pentafluoroanilino)propane-1,3-diol is sourced from PubChem (CID 107849369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).