1-(2-fluoroethoxy)butan-2-ol

C6H13FO2 — CID 58952834

IUPAC1-(2-fluoroethoxy)butan-2-ol
SMILESCCC(O)COCCF
InChIInChI=1S/C6H13FO2/c1-2-6(8)5-9-4-3-7/h6,8H,2-5H2,1H3
InChIKeyGGUAILWUZAWNDJ-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.74
Rot. Bonds5

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

1-(2-fluoroethoxy)butan-2-ol (PubChem CID 58952834) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-fluoroethoxy)butan-2-ol
PubChem CID58952834
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name1-(2-fluoroethoxy)butan-2-ol
SMILESCCC(O)COCCF
InChIInChI=1S/C6H13FO2/c1-2-6(8)5-9-4-3-7/h6,8H,2-5H2,1H3
InChIKeyGGUAILWUZAWNDJ-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-fluoroethoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
(2R)-1-butoxybutan-2-ol
CID 27255938
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
CID 154623550
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
methane;1-methoxybutan-2-ol
CID 161499525

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)butan-2-ol?
The IUPAC name of 1-(2-fluoroethoxy)butan-2-ol (CID 58952834) is 1-(2-fluoroethoxy)butan-2-ol.
What is the SMILES notation for 1-(2-fluoroethoxy)butan-2-ol?
The canonical SMILES for 1-(2-fluoroethoxy)butan-2-ol is CCC(O)COCCF.
What is the InChIKey of 1-(2-fluoroethoxy)butan-2-ol?
The InChIKey is GGUAILWUZAWNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-2-6(8)5-9-4-3-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)butan-2-ol?
1-(2-fluoroethoxy)butan-2-ol has a molecular weight of 136.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)butan-2-ol is sourced from PubChem (CID 58952834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).