1-fluoro-3-(methoxymethoxy)propan-2-ol

C5H11FO3 — CID 134992773

IUPAC1-fluoro-3-(methoxymethoxy)propan-2-ol
SMILESCOCOCC(O)CF
InChIInChI=1S/C5H11FO3/c1-8-4-9-3-5(7)2-6/h5,7H,2-4H2,1H3
InChIKeyBZZVRGHVCZFCRF-UHFFFAOYSA-N
MW138.14 g/mol
LogP-0.06
Rot. Bonds5

About 1-fluoro-3-(methoxymethoxy)propan-2-ol

1-fluoro-3-(methoxymethoxy)propan-2-ol (PubChem CID 134992773) has the molecular formula C5H11FO3 and a molecular weight of 138.14 g/mol. Its IUPAC name is 1-fluoro-3-(methoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(methoxymethoxy)propan-2-ol
PubChem CID134992773
Molecular FormulaC5H11FO3
Molecular Weight138.14 g/mol
Exact Mass138.07
IUPAC Name1-fluoro-3-(methoxymethoxy)propan-2-ol
SMILESCOCOCC(O)CF
InChIInChI=1S/C5H11FO3/c1-8-4-9-3-5(7)2-6/h5,7H,2-4H2,1H3
InChIKeyBZZVRGHVCZFCRF-UHFFFAOYSA-N
XLogP-0.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluoro-3-(methoxymethoxy)propan-2-ol?
The IUPAC name of 1-fluoro-3-(methoxymethoxy)propan-2-ol (CID 134992773) is 1-fluoro-3-(methoxymethoxy)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(methoxymethoxy)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(methoxymethoxy)propan-2-ol is COCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-(methoxymethoxy)propan-2-ol?
The InChIKey is BZZVRGHVCZFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3/c1-8-4-9-3-5(7)2-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-fluoro-3-(methoxymethoxy)propan-2-ol?
1-fluoro-3-(methoxymethoxy)propan-2-ol has a molecular weight of 138.14 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(methoxymethoxy)propan-2-ol is sourced from PubChem (CID 134992773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).