2-(fluoromethyl)-3-methoxypropan-1-ol

C5H11FO2 — CID 59156405

IUPAC2-(fluoromethyl)-3-methoxypropan-1-ol
SMILESCOCC(CO)CF
InChIInChI=1S/C5H11FO2/c1-8-4-5(2-6)3-7/h5,7H,2-4H2,1H3
InChIKeyODQUMMGEWCJGKT-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.21
Rot. Bonds4

About 2-(fluoromethyl)-3-methoxypropan-1-ol

2-(fluoromethyl)-3-methoxypropan-1-ol (PubChem CID 59156405) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-3-methoxypropan-1-ol
PubChem CID59156405
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name2-(fluoromethyl)-3-methoxypropan-1-ol
SMILESCOCC(CO)CF
InChIInChI=1S/C5H11FO2/c1-8-4-5(2-6)3-7/h5,7H,2-4H2,1H3
InChIKeyODQUMMGEWCJGKT-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-methoxypropan-1-ol?
The IUPAC name of 2-(fluoromethyl)-3-methoxypropan-1-ol (CID 59156405) is 2-(fluoromethyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(fluoromethyl)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(fluoromethyl)-3-methoxypropan-1-ol is COCC(CO)CF.
What is the InChIKey of 2-(fluoromethyl)-3-methoxypropan-1-ol?
The InChIKey is ODQUMMGEWCJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-8-4-5(2-6)3-7/h5,7H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-methoxypropan-1-ol?
2-(fluoromethyl)-3-methoxypropan-1-ol has a molecular weight of 122.14 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 59156405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).