ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate

C11H18F2O3 — CID 10944426

IUPACethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C11H18F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h8-9,14H,2-7H2,1H3
InChIKeyQZRVWTTVAJXKRD-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.13
Rot. Bonds4

About ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate

ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate (PubChem CID 10944426) has the molecular formula C11H18F2O3 and a molecular weight of 236.26 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
PubChem CID10944426
Molecular FormulaC11H18F2O3
Molecular Weight236.26 g/mol
Exact Mass236.12
IUPAC Nameethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C11H18F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h8-9,14H,2-7H2,1H3
InChIKeyQZRVWTTVAJXKRD-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The IUPAC name of ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate (CID 10944426) is ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate is CCOC(=O)C(F)(F)C(O)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The InChIKey is QZRVWTTVAJXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h8-9,14H,2-7H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate has a molecular weight of 236.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate is sourced from PubChem (CID 10944426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).