ethyl 3-cyclohexyl-2,2-difluoropropanoate

C11H18F2O2 — CID 10900130

IUPACethyl 3-cyclohexyl-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1CCCCC1
InChIInChI=1S/C11H18F2O2/c1-2-15-10(14)11(12,13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGFTYRKRCKKQLQY-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.16
Rot. Bonds4

About ethyl 3-cyclohexyl-2,2-difluoropropanoate

ethyl 3-cyclohexyl-2,2-difluoropropanoate (PubChem CID 10900130) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-2,2-difluoropropanoate
PubChem CID10900130
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameethyl 3-cyclohexyl-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1CCCCC1
InChIInChI=1S/C11H18F2O2/c1-2-15-10(14)11(12,13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGFTYRKRCKKQLQY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-cyclohexyl-2,2-difluoropropanoate (CID 10900130) is ethyl 3-cyclohexyl-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-cyclohexyl-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CC1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-2,2-difluoropropanoate?
The InChIKey is GFTYRKRCKKQLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-2-15-10(14)11(12,13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-2,2-difluoropropanoate?
ethyl 3-cyclohexyl-2,2-difluoropropanoate has a molecular weight of 220.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-2,2-difluoropropanoate is sourced from PubChem (CID 10900130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).