fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane

C7H16F2O2 — CID 91000002

IUPACfluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
SMILESCF.COCCOCCCF
InChIInChI=1S/C6H13FO2.CH3F/c1-8-5-6-9-4-2-3-7;1-2/h2-6H2,1H3;1H3
InChIKeyITBRUZQNWPMACO-UHFFFAOYSA-N
MW170.20 g/mol
LogP1.59
Rot. Bonds6

About fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane

fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane (PubChem CID 91000002) has the molecular formula C7H16F2O2 and a molecular weight of 170.20 g/mol. Its IUPAC name is fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane.

Molecular Properties

Compound Namefluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
PubChem CID91000002
Molecular FormulaC7H16F2O2
Molecular Weight170.20 g/mol
Exact Mass170.11
IUPAC Namefluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
SMILESCF.COCCOCCCF
InChIInChI=1S/C6H13FO2.CH3F/c1-8-5-6-9-4-2-3-7;1-2/h2-6H2,1H3;1H3
InChIKeyITBRUZQNWPMACO-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane 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-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,8-bis(2-methoxyethoxy)octane
CID 143118909
bis(1-fluoro-3-(3-fluoropropoxy)propane);hydrate
CID 174856263
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
1-[2-(fluoromethoxy)ethoxy]-2-methoxyethane
CID 11182702
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane?
The IUPAC name of fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane (CID 91000002) is fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane.
What is the SMILES notation for fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane?
The canonical SMILES for fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane is CF.COCCOCCCF.
What is the InChIKey of fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane?
The InChIKey is ITBRUZQNWPMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2.CH3F/c1-8-5-6-9-4-2-3-7;1-2/h2-6H2,1H3;1H3.
What are the key properties of fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane?
fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane has a molecular weight of 170.20 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane is sourced from PubChem (CID 91000002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).