(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate

C10H17FO3 — CID 144561234

IUPAC(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate
SMILESO=C(CF)OC(O)CC1CCCCC1
InChIInChI=1S/C10H17FO3/c11-7-10(13)14-9(12)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2
InChIKeyOJBGLVJRBQZOBD-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.79
Rot. Bonds4

About (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate

(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate (PubChem CID 144561234) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate.

Molecular Properties

Compound Name(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate
PubChem CID144561234
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate
SMILESO=C(CF)OC(O)CC1CCCCC1
InChIInChI=1S/C10H17FO3/c11-7-10(13)14-9(12)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2
InChIKeyOJBGLVJRBQZOBD-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate?
The IUPAC name of (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate (CID 144561234) is (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate.
What is the SMILES notation for (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate?
The canonical SMILES for (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate is O=C(CF)OC(O)CC1CCCCC1.
What is the InChIKey of (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate?
The InChIKey is OJBGLVJRBQZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c11-7-10(13)14-9(12)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2.
What are the key properties of (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate?
(2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate has a molecular weight of 204.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1-hydroxyethyl) 2-fluoroacetate is sourced from PubChem (CID 144561234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).