ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate

C9H14F2O3 — CID 11052834

IUPACethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C9H14F2O3/c1-2-14-7(12)9(10,11)8(13)5-3-4-6-8/h13H,2-6H2,1H3
InChIKeyJRDSMWUOOBAVSI-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate

ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate (PubChem CID 11052834) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
PubChem CID11052834
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Nameethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C9H14F2O3/c1-2-14-7(12)9(10,11)8(13)5-3-4-6-8/h13H,2-6H2,1H3
InChIKeyJRDSMWUOOBAVSI-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate (CID 11052834) is ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate is CCOC(=O)C(F)(F)C1(O)CCCC1.
What is the InChIKey of ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The InChIKey is JRDSMWUOOBAVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-2-14-7(12)9(10,11)8(13)5-3-4-6-8/h13H,2-6H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate has a molecular weight of 208.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate is sourced from PubChem (CID 11052834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).