ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate

C11H18F2O2 — CID 10036397

IUPACethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate
SMILESCCOC(=O)C(F)(F)CC1CCCC1C
InChIInChI=1S/C11H18F2O2/c1-3-15-10(14)11(12,13)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyBGPQCFRDHWEKOI-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate

ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate (PubChem CID 10036397) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate
PubChem CID10036397
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate
SMILESCCOC(=O)C(F)(F)CC1CCCC1C
InChIInChI=1S/C11H18F2O2/c1-3-15-10(14)11(12,13)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyBGPQCFRDHWEKOI-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate (CID 10036397) is ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate is CCOC(=O)C(F)(F)CC1CCCC1C.
What is the InChIKey of ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate?
The InChIKey is BGPQCFRDHWEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-3-15-10(14)11(12,13)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate?
ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate has a molecular weight of 220.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate is sourced from PubChem (CID 10036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).