2-(3,3,3-trichloroprop-1-enyl)furan

C7H5Cl3O — CID 56614654

IUPAC2-(3,3,3-trichloroprop-1-enyl)furan
SMILESClC(Cl)(Cl)C=Cc1ccco1
InChIInChI=1S/C7H5Cl3O/c8-7(9,10)4-3-6-2-1-5-11-6/h1-5H
InChIKeyUCYLSHSZVBGUCS-UHFFFAOYSA-N
MW211.48 g/mol
LogP3.66
Rot. Bonds1

About 2-(3,3,3-trichloroprop-1-enyl)furan

2-(3,3,3-trichloroprop-1-enyl)furan (PubChem CID 56614654) has the molecular formula C7H5Cl3O and a molecular weight of 211.48 g/mol. Its IUPAC name is 2-(3,3,3-trichloroprop-1-enyl)furan.

Molecular Properties

Compound Name2-(3,3,3-trichloroprop-1-enyl)furan
PubChem CID56614654
Molecular FormulaC7H5Cl3O
Molecular Weight211.48 g/mol
Exact Mass209.94
IUPAC Name2-(3,3,3-trichloroprop-1-enyl)furan
SMILESClC(Cl)(Cl)C=Cc1ccco1
InChIInChI=1S/C7H5Cl3O/c8-7(9,10)4-3-6-2-1-5-11-6/h1-5H
InChIKeyUCYLSHSZVBGUCS-UHFFFAOYSA-N
XLogP3.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.48
LogP ≤ 53.66
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

2-[(Z)-2-chloroethenyl]furan
CID 11389398
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(E)-2-phenylethenyl]furan
CID 642118
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-(3-chloroprop-1-enyl)furan
CID 54215427
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trichloroprop-1-enyl)furan?
The IUPAC name of 2-(3,3,3-trichloroprop-1-enyl)furan (CID 56614654) is 2-(3,3,3-trichloroprop-1-enyl)furan.
What is the SMILES notation for 2-(3,3,3-trichloroprop-1-enyl)furan?
The canonical SMILES for 2-(3,3,3-trichloroprop-1-enyl)furan is ClC(Cl)(Cl)C=Cc1ccco1.
What is the InChIKey of 2-(3,3,3-trichloroprop-1-enyl)furan?
The InChIKey is UCYLSHSZVBGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O/c8-7(9,10)4-3-6-2-1-5-11-6/h1-5H.
What are the key properties of 2-(3,3,3-trichloroprop-1-enyl)furan?
2-(3,3,3-trichloroprop-1-enyl)furan has a molecular weight of 211.48 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trichloroprop-1-enyl)furan is sourced from PubChem (CID 56614654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).