cyclohexen-1-yl 2,2-difluoroacetate

C8H10F2O2 — CID 154088035

IUPACcyclohexen-1-yl 2,2-difluoroacetate
SMILESO=C(OC1=CCCCC1)C(F)F
InChIInChI=1S/C8H10F2O2/c9-7(10)8(11)12-6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyYKFRSGPMPSPPHL-UHFFFAOYSA-N
MW176.16 g/mol
LogP2.25
Rot. Bonds2

About cyclohexen-1-yl 2,2-difluoroacetate

cyclohexen-1-yl 2,2-difluoroacetate (PubChem CID 154088035) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is cyclohexen-1-yl 2,2-difluoroacetate.

Molecular Properties

Compound Namecyclohexen-1-yl 2,2-difluoroacetate
PubChem CID154088035
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Namecyclohexen-1-yl 2,2-difluoroacetate
SMILESO=C(OC1=CCCCC1)C(F)F
InChIInChI=1S/C8H10F2O2/c9-7(10)8(11)12-6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyYKFRSGPMPSPPHL-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl 2,2-difluoroacetate?
The IUPAC name of cyclohexen-1-yl 2,2-difluoroacetate (CID 154088035) is cyclohexen-1-yl 2,2-difluoroacetate.
What is the SMILES notation for cyclohexen-1-yl 2,2-difluoroacetate?
The canonical SMILES for cyclohexen-1-yl 2,2-difluoroacetate is O=C(OC1=CCCCC1)C(F)F.
What is the InChIKey of cyclohexen-1-yl 2,2-difluoroacetate?
The InChIKey is YKFRSGPMPSPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-7(10)8(11)12-6-4-2-1-3-5-6/h4,7H,1-3,5H2.
What are the key properties of cyclohexen-1-yl 2,2-difluoroacetate?
cyclohexen-1-yl 2,2-difluoroacetate has a molecular weight of 176.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 2,2-difluoroacetate is sourced from PubChem (CID 154088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).