1,1,2-trifluoroethylcyclohexane

C8H13F3 — CID 12634318

IUPAC1,1,2-trifluoroethylcyclohexane
SMILESFCC(F)(F)C1CCCCC1
InChIInChI=1S/C8H13F3/c9-6-8(10,11)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyPCBXUDQFZHWMKH-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.17
Rot. Bonds2

About 1,1,2-trifluoroethylcyclohexane

1,1,2-trifluoroethylcyclohexane (PubChem CID 12634318) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1,1,2-trifluoroethylcyclohexane.

Molecular Properties

Compound Name1,1,2-trifluoroethylcyclohexane
PubChem CID12634318
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1,1,2-trifluoroethylcyclohexane
SMILESFCC(F)(F)C1CCCCC1
InChIInChI=1S/C8H13F3/c9-6-8(10,11)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyPCBXUDQFZHWMKH-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethylcyclohexane?
The IUPAC name of 1,1,2-trifluoroethylcyclohexane (CID 12634318) is 1,1,2-trifluoroethylcyclohexane.
What is the SMILES notation for 1,1,2-trifluoroethylcyclohexane?
The canonical SMILES for 1,1,2-trifluoroethylcyclohexane is FCC(F)(F)C1CCCCC1.
What is the InChIKey of 1,1,2-trifluoroethylcyclohexane?
The InChIKey is PCBXUDQFZHWMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c9-6-8(10,11)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 1,1,2-trifluoroethylcyclohexane?
1,1,2-trifluoroethylcyclohexane has a molecular weight of 166.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethylcyclohexane is sourced from PubChem (CID 12634318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).