1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol

C5H11FO4 — CID 54513302

IUPAC1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)C(O)F
InChIInChI=1S/C5H11FO4/c6-4(10)5(1-7,2-8)3-9/h4,7-10H,1-3H2
InChIKeyYKQVMVSOTCAZNZ-UHFFFAOYSA-N
MW154.14 g/mol
LogP-1.76
Rot. Bonds4

About 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol

1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol (PubChem CID 54513302) has the molecular formula C5H11FO4 and a molecular weight of 154.14 g/mol. Its IUPAC name is 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol
PubChem CID54513302
Molecular FormulaC5H11FO4
Molecular Weight154.14 g/mol
Exact Mass154.06
IUPAC Name1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)C(O)F
InChIInChI=1S/C5H11FO4/c6-4(10)5(1-7,2-8)3-9/h4,7-10H,1-3H2
InChIKeyYKQVMVSOTCAZNZ-UHFFFAOYSA-N
XLogP-1.76
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol (CID 54513302) is 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)C(O)F.
What is the InChIKey of 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol?
The InChIKey is YKQVMVSOTCAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO4/c6-4(10)5(1-7,2-8)3-9/h4,7-10H,1-3H2.
What are the key properties of 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol?
1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol has a molecular weight of 154.14 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2-bis(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 54513302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).