3-(3-chlorobutyl)furan

C8H11ClO — CID 64514685

IUPAC3-(3-chlorobutyl)furan
SMILESCC(Cl)CCc1ccoc1
InChIInChI=1S/C8H11ClO/c1-7(9)2-3-8-4-5-10-6-8/h4-7H,2-3H2,1H3
InChIKeyFGSFPTDLXPZROZ-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-chlorobutyl)furan

3-(3-chlorobutyl)furan (PubChem CID 64514685) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 3-(3-chlorobutyl)furan.

Molecular Properties

Compound Name3-(3-chlorobutyl)furan
PubChem CID64514685
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name3-(3-chlorobutyl)furan
SMILESCC(Cl)CCc1ccoc1
InChIInChI=1S/C8H11ClO/c1-7(9)2-3-8-4-5-10-6-8/h4-7H,2-3H2,1H3
InChIKeyFGSFPTDLXPZROZ-UHFFFAOYSA-N
XLogP2.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chlorobutyl)furan 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

3-(furan-3-yl)-1-phenylpropan-1-amine
CID 64505845
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
6-(furan-3-yl)-2-methylhex-1-en-3-ol
CID 121218914
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
3-ethylfuran;methanol
CID 174626479
3-[chloro(dideuterio)methyl]furan
CID 169436301
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
1-(furan-3-yl)-3-methylhexan-2-amine
CID 105029905

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorobutyl)furan?
The IUPAC name of 3-(3-chlorobutyl)furan (CID 64514685) is 3-(3-chlorobutyl)furan.
What is the SMILES notation for 3-(3-chlorobutyl)furan?
The canonical SMILES for 3-(3-chlorobutyl)furan is CC(Cl)CCc1ccoc1.
What is the InChIKey of 3-(3-chlorobutyl)furan?
The InChIKey is FGSFPTDLXPZROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-7(9)2-3-8-4-5-10-6-8/h4-7H,2-3H2,1H3.
What are the key properties of 3-(3-chlorobutyl)furan?
3-(3-chlorobutyl)furan has a molecular weight of 158.63 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorobutyl)furan is sourced from PubChem (CID 64514685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).