1-(2-fluoroethoxy)propan-1-ol

C5H11FO2 — CID 142878325

IUPAC1-(2-fluoroethoxy)propan-1-ol
SMILESCCC(O)OCCF
InChIInChI=1S/C5H11FO2/c1-2-5(7)8-4-3-6/h5,7H,2-4H2,1H3
InChIKeyZWYHKNDAKIQKLU-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-fluoroethoxy)propan-1-ol

1-(2-fluoroethoxy)propan-1-ol (PubChem CID 142878325) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluoroethoxy)propan-1-ol
PubChem CID142878325
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name1-(2-fluoroethoxy)propan-1-ol
SMILESCCC(O)OCCF
InChIInChI=1S/C5H11FO2/c1-2-5(7)8-4-3-6/h5,7H,2-4H2,1H3
InChIKeyZWYHKNDAKIQKLU-UHFFFAOYSA-N
XLogP0.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2-fluoroethoxy)propan-1-ol (CID 142878325) is 1-(2-fluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-fluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2-fluoroethoxy)propan-1-ol is CCC(O)OCCF.
What is the InChIKey of 1-(2-fluoroethoxy)propan-1-ol?
The InChIKey is ZWYHKNDAKIQKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-2-5(7)8-4-3-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)propan-1-ol?
1-(2-fluoroethoxy)propan-1-ol has a molecular weight of 122.14 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)propan-1-ol is sourced from PubChem (CID 142878325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).