ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate

C10H17FO3 — CID 13022402

IUPACethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCCCC1
InChIInChI=1S/C10H17FO3/c1-2-14-9(12)8(11)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3
InChIKeyQMUKZTFWFKYNEH-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.58
Rot. Bonds3

About ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate

ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate (PubChem CID 13022402) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate
PubChem CID13022402
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCCCC1
InChIInChI=1S/C10H17FO3/c1-2-14-9(12)8(11)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3
InChIKeyQMUKZTFWFKYNEH-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate (CID 13022402) is ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate is CCOC(=O)C(F)C1(O)CCCCC1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate?
The InChIKey is QMUKZTFWFKYNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-2-14-9(12)8(11)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate?
ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate has a molecular weight of 204.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 13022402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).