2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol

C8H15FO2 — CID 122675862

IUPAC2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol
SMILESCCC(/C=C\F)C(CO)CO
InChIInChI=1S/C8H15FO2/c1-2-7(3-4-9)8(5-10)6-11/h3-4,7-8,10-11H,2,5-6H2,1H3/b4-3-
InChIKeyNTVSJLVKHZTKFK-ARJAWSKDSA-N
MW162.20 g/mol
LogP1.10
Rot. Bonds5

About 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol

2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol (PubChem CID 122675862) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol
PubChem CID122675862
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol
SMILESCCC(/C=C\F)C(CO)CO
InChIInChI=1S/C8H15FO2/c1-2-7(3-4-9)8(5-10)6-11/h3-4,7-8,10-11H,2,5-6H2,1H3/b4-3-
InChIKeyNTVSJLVKHZTKFK-ARJAWSKDSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol?
The IUPAC name of 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol (CID 122675862) is 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol.
What is the SMILES notation for 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol?
The canonical SMILES for 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol is CCC(/C=C\F)C(CO)CO.
What is the InChIKey of 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol?
The InChIKey is NTVSJLVKHZTKFK-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H15FO2/c1-2-7(3-4-9)8(5-10)6-11/h3-4,7-8,10-11H,2,5-6H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol?
2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol has a molecular weight of 162.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluoropent-1-en-3-yl]propane-1,3-diol is sourced from PubChem (CID 122675862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).