(4-hydroxycyclohexyl) 2,2-difluoroacetate

C8H12F2O3 — CID 58225902

IUPAC(4-hydroxycyclohexyl) 2,2-difluoroacetate
SMILESO=C(OC1CCC(O)CC1)C(F)F
InChIInChI=1S/C8H12F2O3/c9-7(10)8(12)13-6-3-1-5(11)2-4-6/h5-7,11H,1-4H2
InChIKeyCZVLAMUWBOWPTD-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.10
Rot. Bonds2

About (4-hydroxycyclohexyl) 2,2-difluoroacetate

(4-hydroxycyclohexyl) 2,2-difluoroacetate (PubChem CID 58225902) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) 2,2-difluoroacetate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) 2,2-difluoroacetate
PubChem CID58225902
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(4-hydroxycyclohexyl) 2,2-difluoroacetate
SMILESO=C(OC1CCC(O)CC1)C(F)F
InChIInChI=1S/C8H12F2O3/c9-7(10)8(12)13-6-3-1-5(11)2-4-6/h5-7,11H,1-4H2
InChIKeyCZVLAMUWBOWPTD-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) 2,2-difluoroacetate?
The IUPAC name of (4-hydroxycyclohexyl) 2,2-difluoroacetate (CID 58225902) is (4-hydroxycyclohexyl) 2,2-difluoroacetate.
What is the SMILES notation for (4-hydroxycyclohexyl) 2,2-difluoroacetate?
The canonical SMILES for (4-hydroxycyclohexyl) 2,2-difluoroacetate is O=C(OC1CCC(O)CC1)C(F)F.
What is the InChIKey of (4-hydroxycyclohexyl) 2,2-difluoroacetate?
The InChIKey is CZVLAMUWBOWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c9-7(10)8(12)13-6-3-1-5(11)2-4-6/h5-7,11H,1-4H2.
What are the key properties of (4-hydroxycyclohexyl) 2,2-difluoroacetate?
(4-hydroxycyclohexyl) 2,2-difluoroacetate has a molecular weight of 194.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) 2,2-difluoroacetate is sourced from PubChem (CID 58225902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).