2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine

C13H23F2NO — CID 114225874

IUPAC2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCCC(F)(F)C2)O1
InChIInChI=1S/C13H23F2NO/c1-9-4-5-12(17-9)11(16)7-10-3-2-6-13(14,15)8-10/h9-12H,2-8,16H2,1H3
InChIKeyPVOMTFJRCYNAMG-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.10
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine

2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 114225874) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID114225874
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCCC(F)(F)C2)O1
InChIInChI=1S/C13H23F2NO/c1-9-4-5-12(17-9)11(16)7-10-3-2-6-13(14,15)8-10/h9-12H,2-8,16H2,1H3
InChIKeyPVOMTFJRCYNAMG-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine (CID 114225874) is 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine is CC1CCC(C(N)CC2CCCC(F)(F)C2)O1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is PVOMTFJRCYNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-9-4-5-12(17-9)11(16)7-10-3-2-6-13(14,15)8-10/h9-12H,2-8,16H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 247.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 114225874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).