2-(3-fluoropropyl)propane-1,3-diol

C6H13FO2 — CID 14985208

IUPAC2-(3-fluoropropyl)propane-1,3-diol
SMILESOCC(CO)CCCF
InChIInChI=1S/C6H13FO2/c7-3-1-2-6(4-8)5-9/h6,8-9H,1-5H2
InChIKeyALIOEWSAEJJWBA-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.34
Rot. Bonds5

About 2-(3-fluoropropyl)propane-1,3-diol

2-(3-fluoropropyl)propane-1,3-diol (PubChem CID 14985208) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-(3-fluoropropyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluoropropyl)propane-1,3-diol
PubChem CID14985208
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name2-(3-fluoropropyl)propane-1,3-diol
SMILESOCC(CO)CCCF
InChIInChI=1S/C6H13FO2/c7-3-1-2-6(4-8)5-9/h6,8-9H,1-5H2
InChIKeyALIOEWSAEJJWBA-UHFFFAOYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)nonadecane-1,19-diol
CID 18361656
2-(4-methylpentyl)propane-1,3-diol
CID 83169762
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567
2,10-bis(hydroxymethyl)-6-(2-sulfanylethyl)undecane-1,11-diol
CID 134417180
2-pentadecylpropane-1,3-diol
CID 91351654
4-ethyl-1-fluoroheptane
CID 174734694
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430
2-(hydroxymethyl)pentane-1,5-diol;isocyanic acid
CID 87858570
3-(bromomethyl)-6-fluorohexanoic acid
CID 174538715
1,1-dibromo-4-fluorobutane
CID 54091383
CID 59269692
CID 59269692
1,2,5-trifluoropentane
CID 87247739

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)propane-1,3-diol?
The IUPAC name of 2-(3-fluoropropyl)propane-1,3-diol (CID 14985208) is 2-(3-fluoropropyl)propane-1,3-diol.
What is the SMILES notation for 2-(3-fluoropropyl)propane-1,3-diol?
The canonical SMILES for 2-(3-fluoropropyl)propane-1,3-diol is OCC(CO)CCCF.
What is the InChIKey of 2-(3-fluoropropyl)propane-1,3-diol?
The InChIKey is ALIOEWSAEJJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2/c7-3-1-2-6(4-8)5-9/h6,8-9H,1-5H2.
What are the key properties of 2-(3-fluoropropyl)propane-1,3-diol?
2-(3-fluoropropyl)propane-1,3-diol has a molecular weight of 136.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)propane-1,3-diol is sourced from PubChem (CID 14985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).