4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane

C8H10Br2F2 — CID 129270309

IUPAC4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane
SMILESFC1(F)CCC(C=C(Br)Br)CC1
InChIInChI=1S/C8H10Br2F2/c9-7(10)5-6-1-3-8(11,12)4-2-6/h5-6H,1-4H2
InChIKeyIZEACSTUBLQVQJ-UHFFFAOYSA-N
MW303.97 g/mol
LogP4.44
Rot. Bonds1

About 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane

4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane (PubChem CID 129270309) has the molecular formula C8H10Br2F2 and a molecular weight of 303.97 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane
PubChem CID129270309
Molecular FormulaC8H10Br2F2
Molecular Weight303.97 g/mol
Exact Mass301.91
IUPAC Name4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane
SMILESFC1(F)CCC(C=C(Br)Br)CC1
InChIInChI=1S/C8H10Br2F2/c9-7(10)5-6-1-3-8(11,12)4-2-6/h5-6H,1-4H2
InChIKeyIZEACSTUBLQVQJ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.97
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane?
The IUPAC name of 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane (CID 129270309) is 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane.
What is the SMILES notation for 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane?
The canonical SMILES for 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane is FC1(F)CCC(C=C(Br)Br)CC1.
What is the InChIKey of 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane?
The InChIKey is IZEACSTUBLQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2F2/c9-7(10)5-6-1-3-8(11,12)4-2-6/h5-6H,1-4H2.
What are the key properties of 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane?
4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane has a molecular weight of 303.97 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)-1,1-difluorocyclohexane is sourced from PubChem (CID 129270309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).