1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane

C10H16F4 — CID 87307695

IUPAC1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane
SMILESCC1CC(F)C(F)(C(C)C)C(F)(F)C1
InChIInChI=1S/C10H16F4/c1-6(2)10(14)8(11)4-7(3)5-9(10,12)13/h6-8H,4-5H2,1-3H3
InChIKeyJBLLLKIAQSBCJU-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.75
Rot. Bonds1

About 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane

1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane (PubChem CID 87307695) has the molecular formula C10H16F4 and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane
PubChem CID87307695
Molecular FormulaC10H16F4
Molecular Weight212.23 g/mol
Exact Mass212.12
IUPAC Name1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane
SMILESCC1CC(F)C(F)(C(C)C)C(F)(F)C1
InChIInChI=1S/C10H16F4/c1-6(2)10(14)8(11)4-7(3)5-9(10,12)13/h6-8H,4-5H2,1-3H3
InChIKeyJBLLLKIAQSBCJU-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane (CID 87307695) is 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane is CC1CC(F)C(F)(C(C)C)C(F)(F)C1.
What is the InChIKey of 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane?
The InChIKey is JBLLLKIAQSBCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4/c1-6(2)10(14)8(11)4-7(3)5-9(10,12)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane?
1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane has a molecular weight of 212.23 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 87307695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).