(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate

C10H17F2NO2 — CID 157087017

IUPAC(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate
SMILESNCC(F)(F)COC(=O)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12,6-13)7-15-9(14)8-4-2-1-3-5-8/h8H,1-7,13H2
InChIKeyHGYFZYHUYHLBIG-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.70
Rot. Bonds4

About (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate

(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate (PubChem CID 157087017) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate
PubChem CID157087017
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate
SMILESNCC(F)(F)COC(=O)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12,6-13)7-15-9(14)8-4-2-1-3-5-8/h8H,1-7,13H2
InChIKeyHGYFZYHUYHLBIG-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate?
The IUPAC name of (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate (CID 157087017) is (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate.
What is the SMILES notation for (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate?
The canonical SMILES for (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate is NCC(F)(F)COC(=O)C1CCCCC1.
What is the InChIKey of (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate?
The InChIKey is HGYFZYHUYHLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12,6-13)7-15-9(14)8-4-2-1-3-5-8/h8H,1-7,13H2.
What are the key properties of (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate?
(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate has a molecular weight of 221.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-difluoropropyl) cyclohexanecarboxylate is sourced from PubChem (CID 157087017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).