1-fluoro-3-prop-2-enoxy-2-propoxypropane

C9H17FO2 — CID 174964334

IUPAC1-fluoro-3-prop-2-enoxy-2-propoxypropane
SMILESC=CCOCC(CF)OCCC
InChIInChI=1S/C9H17FO2/c1-3-5-11-8-9(7-10)12-6-4-2/h3,9H,1,4-8H2,2H3
InChIKeyPOBPXLDPFOINSN-UHFFFAOYSA-N
MW176.23 g/mol
LogP1.95
Rot. Bonds8

About 1-fluoro-3-prop-2-enoxy-2-propoxypropane

1-fluoro-3-prop-2-enoxy-2-propoxypropane (PubChem CID 174964334) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 1-fluoro-3-prop-2-enoxy-2-propoxypropane.

Molecular Properties

Compound Name1-fluoro-3-prop-2-enoxy-2-propoxypropane
PubChem CID174964334
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name1-fluoro-3-prop-2-enoxy-2-propoxypropane
SMILESC=CCOCC(CF)OCCC
InChIInChI=1S/C9H17FO2/c1-3-5-11-8-9(7-10)12-6-4-2/h3,9H,1,4-8H2,2H3
InChIKeyPOBPXLDPFOINSN-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-prop-2-enoxy-2-propoxypropane?
The IUPAC name of 1-fluoro-3-prop-2-enoxy-2-propoxypropane (CID 174964334) is 1-fluoro-3-prop-2-enoxy-2-propoxypropane.
What is the SMILES notation for 1-fluoro-3-prop-2-enoxy-2-propoxypropane?
The canonical SMILES for 1-fluoro-3-prop-2-enoxy-2-propoxypropane is C=CCOCC(CF)OCCC.
What is the InChIKey of 1-fluoro-3-prop-2-enoxy-2-propoxypropane?
The InChIKey is POBPXLDPFOINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-3-5-11-8-9(7-10)12-6-4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-fluoro-3-prop-2-enoxy-2-propoxypropane?
1-fluoro-3-prop-2-enoxy-2-propoxypropane has a molecular weight of 176.23 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-prop-2-enoxy-2-propoxypropane is sourced from PubChem (CID 174964334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).