1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane

C40H69F11 — CID 159509701

IUPAC1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane
SMILESCC1CC(F)(F)C(C)C(F)(F)C1.CC1CC(F)C(C)C(F)C1.CC1CCC(C)C(F)(F)C1.CC1CCC(C)C(F)C1.CC1CCC(C)C(F)C1F
InChIInChI=1S/C8H12F4.3C8H14F2.C8H15F/c1-5-3-7(9,10)6(2)8(11,12)4-5;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9,10)5-6;1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6/h5-6H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyMALCIKYMFGMMQA-UHFFFAOYSA-N
MW758.97 g/mol
LogP14.64
Rot. Bonds

About 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane

1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane (PubChem CID 159509701) has the molecular formula C40H69F11 and a molecular weight of 758.97 g/mol. Its IUPAC name is 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane
PubChem CID159509701
Molecular FormulaC40H69F11
Molecular Weight758.97 g/mol
Exact Mass758.52
IUPAC Name1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane
SMILESCC1CC(F)(F)C(C)C(F)(F)C1.CC1CC(F)C(C)C(F)C1.CC1CCC(C)C(F)(F)C1.CC1CCC(C)C(F)C1.CC1CCC(C)C(F)C1F
InChIInChI=1S/C8H12F4.3C8H14F2.C8H15F/c1-5-3-7(9,10)6(2)8(11,12)4-5;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9,10)5-6;1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6/h5-6H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyMALCIKYMFGMMQA-UHFFFAOYSA-N
XLogP14.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane?
The IUPAC name of 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane (CID 159509701) is 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane?
The canonical SMILES for 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane is CC1CC(F)(F)C(C)C(F)(F)C1.CC1CC(F)C(C)C(F)C1.CC1CCC(C)C(F)(F)C1.CC1CCC(C)C(F)C1.CC1CCC(C)C(F)C1F.
What is the InChIKey of 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane?
The InChIKey is MALCIKYMFGMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4.3C8H14F2.C8H15F/c1-5-3-7(9,10)6(2)8(11,12)4-5;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9,10)5-6;1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6/h5-6H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane?
1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane has a molecular weight of 758.97 g/mol, XLogP of 14.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,5-dimethylcyclohexane;1,3-difluoro-2,5-dimethylcyclohexane;2,3-difluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexane;1,1,3,3-tetrafluoro-2,5-dimethylcyclohexane is sourced from PubChem (CID 159509701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).