1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone

C10H16F2O2 — CID 166823924

IUPAC1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC(F)[C@@H]1OCCF
InChIInChI=1S/C10H16F2O2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h8-10H,2-6H2,1H3/t8-,9?,10+/m0/s1
InChIKeyVZQQTZWZKBQWDG-DJBFQZMMSA-N
MW206.23 g/mol
LogP2.07
Rot. Bonds4

About 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone

1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone (PubChem CID 166823924) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone
PubChem CID166823924
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC(F)[C@@H]1OCCF
InChIInChI=1S/C10H16F2O2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h8-10H,2-6H2,1H3/t8-,9?,10+/m0/s1
InChIKeyVZQQTZWZKBQWDG-DJBFQZMMSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone (CID 166823924) is 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone is CC(=O)[C@@H]1CCCC(F)[C@@H]1OCCF.
What is the InChIKey of 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone?
The InChIKey is VZQQTZWZKBQWDG-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h8-10H,2-6H2,1H3/t8-,9?,10+/m0/s1.
What are the key properties of 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone?
1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone has a molecular weight of 206.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone is sourced from PubChem (CID 166823924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).