bis(2-fluoro-1,4-dimethylcyclohexene);methane

C19H38F2 — CID 160664203

IUPACbis(2-fluoro-1,4-dimethylcyclohexene);methane
SMILESC.C.C.CC1=C(F)CC(C)CC1.CC1=C(F)CC(C)CC1
InChIInChI=1S/2C8H13F.3CH4/c2*1-6-3-4-7(2)8(9)5-6;;;/h2*6H,3-5H2,1-2H3;3*1H4
InChIKeyRMBNBFXXLGFYEM-UHFFFAOYSA-N
MW304.51 g/mol
LogP8.01
Rot. Bonds

About bis(2-fluoro-1,4-dimethylcyclohexene);methane

bis(2-fluoro-1,4-dimethylcyclohexene);methane (PubChem CID 160664203) has the molecular formula C19H38F2 and a molecular weight of 304.51 g/mol. Its IUPAC name is bis(2-fluoro-1,4-dimethylcyclohexene);methane.

Molecular Properties

Compound Namebis(2-fluoro-1,4-dimethylcyclohexene);methane
PubChem CID160664203
Molecular FormulaC19H38F2
Molecular Weight304.51 g/mol
Exact Mass304.29
IUPAC Namebis(2-fluoro-1,4-dimethylcyclohexene);methane
SMILESC.C.C.CC1=C(F)CC(C)CC1.CC1=C(F)CC(C)CC1
InChIInChI=1S/2C8H13F.3CH4/c2*1-6-3-4-7(2)8(9)5-6;;;/h2*6H,3-5H2,1-2H3;3*1H4
InChIKeyRMBNBFXXLGFYEM-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluoro-1,4-dimethylcyclohexene);methane?
The IUPAC name of bis(2-fluoro-1,4-dimethylcyclohexene);methane (CID 160664203) is bis(2-fluoro-1,4-dimethylcyclohexene);methane.
What is the SMILES notation for bis(2-fluoro-1,4-dimethylcyclohexene);methane?
The canonical SMILES for bis(2-fluoro-1,4-dimethylcyclohexene);methane is C.C.C.CC1=C(F)CC(C)CC1.CC1=C(F)CC(C)CC1.
What is the InChIKey of bis(2-fluoro-1,4-dimethylcyclohexene);methane?
The InChIKey is RMBNBFXXLGFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13F.3CH4/c2*1-6-3-4-7(2)8(9)5-6;;;/h2*6H,3-5H2,1-2H3;3*1H4.
What are the key properties of bis(2-fluoro-1,4-dimethylcyclohexene);methane?
bis(2-fluoro-1,4-dimethylcyclohexene);methane has a molecular weight of 304.51 g/mol, XLogP of 8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoro-1,4-dimethylcyclohexene);methane is sourced from PubChem (CID 160664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).