ethyl 2-(4,4-difluorocyclohexyl)acetate

C10H16F2O2 — CID 59304597

IUPACethyl 2-(4,4-difluorocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3
InChIKeyGZWGGXBBJGJHBC-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.77
Rot. Bonds3

About ethyl 2-(4,4-difluorocyclohexyl)acetate

ethyl 2-(4,4-difluorocyclohexyl)acetate (PubChem CID 59304597) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is ethyl 2-(4,4-difluorocyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,4-difluorocyclohexyl)acetate
PubChem CID59304597
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Nameethyl 2-(4,4-difluorocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3
InChIKeyGZWGGXBBJGJHBC-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-(4,4-difluorocyclohexyl)acetate?
The IUPAC name of ethyl 2-(4,4-difluorocyclohexyl)acetate (CID 59304597) is ethyl 2-(4,4-difluorocyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(4,4-difluorocyclohexyl)acetate?
The canonical SMILES for ethyl 2-(4,4-difluorocyclohexyl)acetate is CCOC(=O)CC1CCC(F)(F)CC1.
What is the InChIKey of ethyl 2-(4,4-difluorocyclohexyl)acetate?
The InChIKey is GZWGGXBBJGJHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-(4,4-difluorocyclohexyl)acetate?
ethyl 2-(4,4-difluorocyclohexyl)acetate 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-(4,4-difluorocyclohexyl)acetate is sourced from PubChem (CID 59304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).