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

C9H17FO2 — CID 174964335

IUPAC1-fluoro-1-prop-2-enoxy-2-propoxypropane
SMILESC=CCOC(F)C(C)OCCC
InChIInChI=1S/C9H17FO2/c1-4-6-11-8(3)9(10)12-7-5-2/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyZFPJJBGRMTVDSE-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.30
Rot. Bonds7

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

1-fluoro-1-prop-2-enoxy-2-propoxypropane (PubChem CID 174964335) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 1-fluoro-1-prop-2-enoxy-2-propoxypropane.

Molecular Properties

Compound Name1-fluoro-1-prop-2-enoxy-2-propoxypropane
PubChem CID174964335
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name1-fluoro-1-prop-2-enoxy-2-propoxypropane
SMILESC=CCOC(F)C(C)OCCC
InChIInChI=1S/C9H17FO2/c1-4-6-11-8(3)9(10)12-7-5-2/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyZFPJJBGRMTVDSE-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-prop-2-enoxy-2-propoxypropane?
The IUPAC name of 1-fluoro-1-prop-2-enoxy-2-propoxypropane (CID 174964335) is 1-fluoro-1-prop-2-enoxy-2-propoxypropane.
What is the SMILES notation for 1-fluoro-1-prop-2-enoxy-2-propoxypropane?
The canonical SMILES for 1-fluoro-1-prop-2-enoxy-2-propoxypropane is C=CCOC(F)C(C)OCCC.
What is the InChIKey of 1-fluoro-1-prop-2-enoxy-2-propoxypropane?
The InChIKey is ZFPJJBGRMTVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-4-6-11-8(3)9(10)12-7-5-2/h5,8-9H,2,4,6-7H2,1,3H3.
What are the key properties of 1-fluoro-1-prop-2-enoxy-2-propoxypropane?
1-fluoro-1-prop-2-enoxy-2-propoxypropane has a molecular weight of 176.23 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-prop-2-enoxy-2-propoxypropane is sourced from PubChem (CID 174964335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).