2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol

C6H13FO3 — CID 87972275

IUPAC2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CCF
InChIInChI=1S/C6H13FO3/c7-2-1-6(3-8,4-9)5-10/h8-10H,1-5H2
InChIKeyTXGMAKCMOAKOPL-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.69
Rot. Bonds5

About 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 87972275) has the molecular formula C6H13FO3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID87972275
Molecular FormulaC6H13FO3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CCF
InChIInChI=1S/C6H13FO3/c7-2-1-6(3-8,4-9)5-10/h8-10H,1-5H2
InChIKeyTXGMAKCMOAKOPL-UHFFFAOYSA-N
XLogP-0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 87972275) is 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)CCF.
What is the InChIKey of 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is TXGMAKCMOAKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3/c7-2-1-6(3-8,4-9)5-10/h8-10H,1-5H2.
What are the key properties of 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 152.16 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 87972275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).