methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate

C9H14F2O3 — CID 89372149

IUPACmethyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C9H14F2O3/c1-13-9(12)6-2-3-7(4-6)14-5-8(10)11/h6-8H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyKEYJPEFUTLYBGL-COBSHVIPSA-N
MW208.20 g/mol
LogP1.61
Rot. Bonds4

About methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate

methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 89372149) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
PubChem CID89372149
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Namemethyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C9H14F2O3/c1-13-9(12)6-2-3-7(4-6)14-5-8(10)11/h6-8H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyKEYJPEFUTLYBGL-COBSHVIPSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (CID 89372149) is methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is COC(=O)C1CC[C@@H](OCC(F)F)C1.
What is the InChIKey of methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is KEYJPEFUTLYBGL-COBSHVIPSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-13-9(12)6-2-3-7(4-6)14-5-8(10)11/h6-8H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate has a molecular weight of 208.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 89372149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).