ethyl 2-cyclohexyl-2,2-difluoroacetate

C10H16F2O2 — CID 14437988

IUPACethyl 2-cyclohexyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H16F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyOFPPWXANCLSJPQ-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.77
Rot. Bonds3

About ethyl 2-cyclohexyl-2,2-difluoroacetate

ethyl 2-cyclohexyl-2,2-difluoroacetate (PubChem CID 14437988) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2,2-difluoroacetate
PubChem CID14437988
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Nameethyl 2-cyclohexyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H16F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyOFPPWXANCLSJPQ-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2,2-difluoroacetate?
The IUPAC name of ethyl 2-cyclohexyl-2,2-difluoroacetate (CID 14437988) is ethyl 2-cyclohexyl-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-cyclohexyl-2,2-difluoroacetate is CCOC(=O)C(F)(F)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2,2-difluoroacetate?
The InChIKey is OFPPWXANCLSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-2,2-difluoroacetate?
ethyl 2-cyclohexyl-2,2-difluoroacetate has a molecular weight of 206.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2,2-difluoroacetate is sourced from PubChem (CID 14437988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).