5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene

C10H12Cl4 — CID 101408843

IUPAC5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene
SMILESClC(CC(Cl)(Cl)Cl)C1CC2C=CC1C2
InChIInChI=1S/C10H12Cl4/c11-9(5-10(12,13)14)8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeySFMHDHMPNDDXHC-UHFFFAOYSA-N
MW274.02 g/mol
LogP4.57
Rot. Bonds2

About 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene

5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 101408843) has the molecular formula C10H12Cl4 and a molecular weight of 274.02 g/mol. Its IUPAC name is 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID101408843
Molecular FormulaC10H12Cl4
Molecular Weight274.02 g/mol
Exact Mass271.97
IUPAC Name5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene
SMILESClC(CC(Cl)(Cl)Cl)C1CC2C=CC1C2
InChIInChI=1S/C10H12Cl4/c11-9(5-10(12,13)14)8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeySFMHDHMPNDDXHC-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 22023885
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106349050
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787
(2S,3R)-2-amino-3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-2-(hydroxymethyl)propanoic acid
CID 142518829
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]ethanamine
CID 81353460
(2R,3S)-2-amino-3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-2-(sulfanylmethyl)propanoic acid
CID 153493874

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene (CID 101408843) is 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene is ClC(CC(Cl)(Cl)Cl)C1CC2C=CC1C2.
What is the InChIKey of 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is SFMHDHMPNDDXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl4/c11-9(5-10(12,13)14)8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene?
5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 274.02 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,3,3-tetrachloropropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 101408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).