1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one

C11H17F3O2 — CID 103214007

IUPAC1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C11H17F3O2/c12-11(13,14)8-16-7-10(15)6-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyKBKLRRVAJHMXRS-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one

1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214007) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214007
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C11H17F3O2/c12-11(13,14)8-16-7-10(15)6-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyKBKLRRVAJHMXRS-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214007) is 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is KBKLRRVAJHMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c12-11(13,14)8-16-7-10(15)6-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 238.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).