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

C9H14F2O3 — CID 143419882

IUPACmethyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(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
InChIKeyKEYJPEFUTLYBGL-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.61
Rot. Bonds4

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

methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 143419882) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
PubChem CID143419882
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Namemethyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(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
InChIKeyKEYJPEFUTLYBGL-UHFFFAOYSA-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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Related Compounds

Ethyl 3-hydroxycyclopentanecarboxylate
CID 53407781
(1S,3S,4S)-ethyl 3-fluoro-4-hydroxycyclopentanecarboxylate
CID 86626208
rac-2-[(3R,5S)-5-(trifluoromethyl)oxolan-3-yl]aceticacid,cis
CID 155858404
(1S,3S,4S)-Methyl 3-fluoro-4-hydroxycyclopentanecarboxylate
CID 46188624
Ethyl (1S,5R)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 10583016
ethyl rel-(1R,3R,4R)-3-fluoro-4-hydroxy-cyclopentanecarboxylate
CID 130149438
Methyl (1R,3R,4R)-3-fluoro-4-hydroxy-cyclopentanecarboxylate
CID 59178201
Methyl 3-fluoro-4-hydroxycyclopentanecarboxylate
CID 67396824
methyl (3R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate
CID 68060550
trans-diethyl (1R,2R)-4-(2,2,2-trifluoroethoxy)cyclopentane-1,2-dicarboxylate
CID 70039302
(1S,3S,4S)-ethyl 3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentanecarboxylate
CID 86626207
methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 89372149

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (CID 143419882) is methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is COC(=O)C1CCC(OCC(F)F)C1.
What is the InChIKey of methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is KEYJPEFUTLYBGL-UHFFFAOYSA-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.
What are the key properties of methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
methyl 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 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 143419882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).