1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene

C10H10Cl2F2 — CID 131851943

IUPAC1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene
SMILESFC1(F)C=C(C2=CCCCC2)C1(Cl)Cl
InChIInChI=1S/C10H10Cl2F2/c11-10(12)8(6-9(10,13)14)7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyUASPTDYGOUVEQU-UHFFFAOYSA-N
MW239.09 g/mol
LogP4.24
Rot. Bonds1

About 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene

1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene (PubChem CID 131851943) has the molecular formula C10H10Cl2F2 and a molecular weight of 239.09 g/mol. Its IUPAC name is 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene.

Molecular Properties

Compound Name1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene
PubChem CID131851943
Molecular FormulaC10H10Cl2F2
Molecular Weight239.09 g/mol
Exact Mass238.01
IUPAC Name1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene
SMILESFC1(F)C=C(C2=CCCCC2)C1(Cl)Cl
InChIInChI=1S/C10H10Cl2F2/c11-10(12)8(6-9(10,13)14)7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyUASPTDYGOUVEQU-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene?
The IUPAC name of 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene (CID 131851943) is 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene.
What is the SMILES notation for 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene?
The canonical SMILES for 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene is FC1(F)C=C(C2=CCCCC2)C1(Cl)Cl.
What is the InChIKey of 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene?
The InChIKey is UASPTDYGOUVEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2/c11-10(12)8(6-9(10,13)14)7-4-2-1-3-5-7/h4,6H,1-3,5H2.
What are the key properties of 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene?
1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene has a molecular weight of 239.09 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene is sourced from PubChem (CID 131851943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).