1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane

C13H24F2O2 — CID 155281757

IUPAC1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane
SMILESCOCCOC(C)CCC(C)C1CC(F)(F)C1
InChIInChI=1S/C13H24F2O2/c1-10(12-8-13(14,15)9-12)4-5-11(2)17-7-6-16-3/h10-12H,4-9H2,1-3H3
InChIKeyFBJVGWOHVMZQIB-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.50
Rot. Bonds8

About 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane

1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane (PubChem CID 155281757) has the molecular formula C13H24F2O2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane
PubChem CID155281757
Molecular FormulaC13H24F2O2
Molecular Weight250.33 g/mol
Exact Mass250.17
IUPAC Name1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane
SMILESCOCCOC(C)CCC(C)C1CC(F)(F)C1
InChIInChI=1S/C13H24F2O2/c1-10(12-8-13(14,15)9-12)4-5-11(2)17-7-6-16-3/h10-12H,4-9H2,1-3H3
InChIKeyFBJVGWOHVMZQIB-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane 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

ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-(2-methoxyethoxy)octadecane
CID 89276167
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 116500620
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
2-(3,3-difluorocyclobutyl)-2-methoxyethanol
CID 155821768
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
2-(2-methoxyethoxy)butane;4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91444187

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane?
The IUPAC name of 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane (CID 155281757) is 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane?
The canonical SMILES for 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane is COCCOC(C)CCC(C)C1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane?
The InChIKey is FBJVGWOHVMZQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O2/c1-10(12-8-13(14,15)9-12)4-5-11(2)17-7-6-16-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane?
1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane has a molecular weight of 250.33 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane is sourced from PubChem (CID 155281757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).