1-(difluoromethoxy)-3-methoxypropane

C5H10F2O2 — CID 59224265

IUPAC1-(difluoromethoxy)-3-methoxypropane
SMILESCOCCCOC(F)F
InChIInChI=1S/C5H10F2O2/c1-8-3-2-4-9-5(6)7/h5H,2-4H2,1H3
InChIKeyRVVLOKHUKZQPDB-UHFFFAOYSA-N
MW140.13 g/mol
LogP1.26
Rot. Bonds5

About 1-(difluoromethoxy)-3-methoxypropane

1-(difluoromethoxy)-3-methoxypropane (PubChem CID 59224265) has the molecular formula C5H10F2O2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methoxypropane.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methoxypropane
PubChem CID59224265
Molecular FormulaC5H10F2O2
Molecular Weight140.13 g/mol
Exact Mass140.06
IUPAC Name1-(difluoromethoxy)-3-methoxypropane
SMILESCOCCCOC(F)F
InChIInChI=1S/C5H10F2O2/c1-8-3-2-4-9-5(6)7/h5H,2-4H2,1H3
InChIKeyRVVLOKHUKZQPDB-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(difluoromethoxy)-3-methoxypropane 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-(difluoromethoxy)decane
CID 14400535
3-(3-methoxypropoxy)penta-1,4-diene
CID 88561870
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
6-(difluoromethoxy)hexan-1-ol
CID 169119350
5-(difluoromethoxy)pent-1-yne
CID 87387493
1-(difluoromethoxy)-2-fluoroethane
CID 87932237
2-(difluoromethoxy)ethanamine;ethane
CID 176962919
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-[3-(3-methoxypropoxy)propoxy]propan-1-ol
CID 23620031
2-(3-methoxypropoxy)-3-methylbutanoic acid
CID 60918161
1-(difluoromethoxy)-2-methylsulfanylethane
CID 122581351
1-methoxyhexacosane
CID 20780514

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methoxypropane?
The IUPAC name of 1-(difluoromethoxy)-3-methoxypropane (CID 59224265) is 1-(difluoromethoxy)-3-methoxypropane.
What is the SMILES notation for 1-(difluoromethoxy)-3-methoxypropane?
The canonical SMILES for 1-(difluoromethoxy)-3-methoxypropane is COCCCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-methoxypropane?
The InChIKey is RVVLOKHUKZQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O2/c1-8-3-2-4-9-5(6)7/h5H,2-4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-methoxypropane?
1-(difluoromethoxy)-3-methoxypropane has a molecular weight of 140.13 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methoxypropane is sourced from PubChem (CID 59224265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).