1-fluoropropane-1,3-diol

C3H7FO2 — CID 91101835

IUPAC1-fluoropropane-1,3-diol
SMILESOCCC(O)F
InChIInChI=1S/C3H7FO2/c4-3(6)1-2-5/h3,5-6H,1-2H2
InChIKeyWIARMKVBSWKALG-UHFFFAOYSA-N
MW94.09 g/mol
LogP-0.34
Rot. Bonds2

About 1-fluoropropane-1,3-diol

1-fluoropropane-1,3-diol (PubChem CID 91101835) has the molecular formula C3H7FO2 and a molecular weight of 94.09 g/mol. Its IUPAC name is 1-fluoropropane-1,3-diol.

Molecular Properties

Compound Name1-fluoropropane-1,3-diol
PubChem CID91101835
Molecular FormulaC3H7FO2
Molecular Weight94.09 g/mol
Exact Mass94.04
IUPAC Name1-fluoropropane-1,3-diol
SMILESOCCC(O)F
InChIInChI=1S/C3H7FO2/c4-3(6)1-2-5/h3,5-6H,1-2H2
InChIKeyWIARMKVBSWKALG-UHFFFAOYSA-N
XLogP-0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-1,3-diol?
The IUPAC name of 1-fluoropropane-1,3-diol (CID 91101835) is 1-fluoropropane-1,3-diol.
What is the SMILES notation for 1-fluoropropane-1,3-diol?
The canonical SMILES for 1-fluoropropane-1,3-diol is OCCC(O)F.
What is the InChIKey of 1-fluoropropane-1,3-diol?
The InChIKey is WIARMKVBSWKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2/c4-3(6)1-2-5/h3,5-6H,1-2H2.
What are the key properties of 1-fluoropropane-1,3-diol?
1-fluoropropane-1,3-diol has a molecular weight of 94.09 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-1,3-diol is sourced from PubChem (CID 91101835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).