ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate

C8H13F2NO2 — CID 162586046

IUPACethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(N)CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-13-6(12)7(11)3-4-8(9,10)5-7/h2-5,11H2,1H3/t7-/m1/s1
InChIKeyBGDZSYZHWCEISA-SSDOTTSWSA-N
MW193.19 g/mol
LogP1.07
Rot. Bonds2

About ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate

ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate (PubChem CID 162586046) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
PubChem CID162586046
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nameethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(N)CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-13-6(12)7(11)3-4-8(9,10)5-7/h2-5,11H2,1H3/t7-/m1/s1
InChIKeyBGDZSYZHWCEISA-SSDOTTSWSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
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ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
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ethyl 6-(aminomethyl)-2,2-difluorospiro[3.3]heptane-6-carboxylate
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ethyl 3-aminooxane-3-carboxylate;hydrochloride
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ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
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ethyl 3-amino-1-tert-butylazetidine-3-carboxylate
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ethyl 1-fluorocyclopent-3-ene-1-carboxylate
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CID 79649440

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate (CID 162586046) is ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate is CCOC(=O)[C@@]1(N)CCC(F)(F)C1.
What is the InChIKey of ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate?
The InChIKey is BGDZSYZHWCEISA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-13-6(12)7(11)3-4-8(9,10)5-7/h2-5,11H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate?
ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate is sourced from PubChem (CID 162586046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).