2-(3-chloropropyl)furan

C7H9ClO — CID 12549641

IUPAC2-(3-chloropropyl)furan
SMILESClCCCc1ccco1
InChIInChI=1S/C7H9ClO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5H2
InChIKeyPMGZIFQSHSMNKE-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-chloropropyl)furan

2-(3-chloropropyl)furan (PubChem CID 12549641) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-(3-chloropropyl)furan.

Molecular Properties

Compound Name2-(3-chloropropyl)furan
PubChem CID12549641
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name2-(3-chloropropyl)furan
SMILESClCCCc1ccco1
InChIInChI=1S/C7H9ClO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5H2
InChIKeyPMGZIFQSHSMNKE-UHFFFAOYSA-N
XLogP2.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)propane-1-thiol
CID 12549643
11-(furan-2-yl)undecan-1-ol
CID 139763920
(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
CID 81429403
4-(furan-2-yl)butanal
CID 14455558
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2-but-3-enylfuran
CID 11977163
ethane;2-(3-methoxypropyl)furan
CID 144595726
2-non-4-ynylfuran
CID 102274443
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
2-(3-naphthalen-1-ylpropyl)furan
CID 102292642

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)furan?
The IUPAC name of 2-(3-chloropropyl)furan (CID 12549641) is 2-(3-chloropropyl)furan.
What is the SMILES notation for 2-(3-chloropropyl)furan?
The canonical SMILES for 2-(3-chloropropyl)furan is ClCCCc1ccco1.
What is the InChIKey of 2-(3-chloropropyl)furan?
The InChIKey is PMGZIFQSHSMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5H2.
What are the key properties of 2-(3-chloropropyl)furan?
2-(3-chloropropyl)furan has a molecular weight of 144.60 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)furan is sourced from PubChem (CID 12549641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).