4-(1,2,2-trifluoroethoxy)cyclohexan-1-one

C8H11F3O2 — CID 68764771

IUPAC4-(1,2,2-trifluoroethoxy)cyclohexan-1-one
SMILESO=C1CCC(OC(F)C(F)F)CC1
InChIInChI=1S/C8H11F3O2/c9-7(10)8(11)13-6-3-1-5(12)2-4-6/h6-8H,1-4H2
InChIKeyUMUZZTSOYPGSJR-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.08
Rot. Bonds3

About 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one

4-(1,2,2-trifluoroethoxy)cyclohexan-1-one (PubChem CID 68764771) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethoxy)cyclohexan-1-one
PubChem CID68764771
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name4-(1,2,2-trifluoroethoxy)cyclohexan-1-one
SMILESO=C1CCC(OC(F)C(F)F)CC1
InChIInChI=1S/C8H11F3O2/c9-7(10)8(11)13-6-3-1-5(12)2-4-6/h6-8H,1-4H2
InChIKeyUMUZZTSOYPGSJR-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one?
The IUPAC name of 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one (CID 68764771) is 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one?
The canonical SMILES for 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one is O=C1CCC(OC(F)C(F)F)CC1.
What is the InChIKey of 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one?
The InChIKey is UMUZZTSOYPGSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-7(10)8(11)13-6-3-1-5(12)2-4-6/h6-8H,1-4H2.
What are the key properties of 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one?
4-(1,2,2-trifluoroethoxy)cyclohexan-1-one has a molecular weight of 196.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethoxy)cyclohexan-1-one is sourced from PubChem (CID 68764771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).