(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane

C11H18F4 — CID 70821112

IUPAC(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane
SMILESCC(C)(C(F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3
InChIKeyAJQHILQMBDWZOW-UHFFFAOYSA-N
MW226.26 g/mol
LogP4.49
Rot. Bonds2

About (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane

(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane (PubChem CID 70821112) has the molecular formula C11H18F4 and a molecular weight of 226.26 g/mol. Its IUPAC name is (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane.

Molecular Properties

Compound Name(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane
PubChem CID70821112
Molecular FormulaC11H18F4
Molecular Weight226.26 g/mol
Exact Mass226.13
IUPAC Name(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane
SMILESCC(C)(C(F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3
InChIKeyAJQHILQMBDWZOW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane?
The IUPAC name of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane (CID 70821112) is (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane.
What is the SMILES notation for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane?
The canonical SMILES for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane is CC(C)(C(F)C1CCCCC1)C(F)(F)F.
What is the InChIKey of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane?
The InChIKey is AJQHILQMBDWZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4/c1-10(2,11(13,14)15)9(12)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane?
(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane has a molecular weight of 226.26 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane is sourced from PubChem (CID 70821112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).