1-fluoro-1-(2-methylpropoxymethyl)cyclobutane

C9H17FO — CID 165411387

IUPAC1-fluoro-1-(2-methylpropoxymethyl)cyclobutane
SMILESCC(C)COCC1(F)CCC1
InChIInChI=1S/C9H17FO/c1-8(2)6-11-7-9(10)4-3-5-9/h8H,3-7H2,1-2H3
InChIKeyJPFCIURSRLDREA-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds4

About 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane

1-fluoro-1-(2-methylpropoxymethyl)cyclobutane (PubChem CID 165411387) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-fluoro-1-(2-methylpropoxymethyl)cyclobutane
PubChem CID165411387
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name1-fluoro-1-(2-methylpropoxymethyl)cyclobutane
SMILESCC(C)COCC1(F)CCC1
InChIInChI=1S/C9H17FO/c1-8(2)6-11-7-9(10)4-3-5-9/h8H,3-7H2,1-2H3
InChIKeyJPFCIURSRLDREA-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-1-(2-methylpropoxymethyl)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

[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
CID 176677829
1-[2-(2-methylpropoxy)ethyl]cyclobutan-1-amine
CID 106459234
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
2-[1-(2-methylpropoxy)cyclobutyl]ethanamine
CID 103273099
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738452
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane?
The IUPAC name of 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane (CID 165411387) is 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane.
What is the SMILES notation for 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane?
The canonical SMILES for 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane is CC(C)COCC1(F)CCC1.
What is the InChIKey of 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane?
The InChIKey is JPFCIURSRLDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-8(2)6-11-7-9(10)4-3-5-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane?
1-fluoro-1-(2-methylpropoxymethyl)cyclobutane has a molecular weight of 160.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(2-methylpropoxymethyl)cyclobutane is sourced from PubChem (CID 165411387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).