2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine

C13H23F2NO — CID 114224850

IUPAC2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1CCCO1
InChIInChI=1S/C13H23F2NO/c1-16-11(12-5-3-7-17-12)8-10-4-2-6-13(14,15)9-10/h10-12,16H,2-9H2,1H3
InChIKeySAEBUTVKMVJDKA-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.97
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine

2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine (PubChem CID 114224850) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
PubChem CID114224850
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1CCCO1
InChIInChI=1S/C13H23F2NO/c1-16-11(12-5-3-7-17-12)8-10-4-2-6-13(14,15)9-10/h10-12,16H,2-9H2,1H3
InChIKeySAEBUTVKMVJDKA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.97
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)-N-methyl-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine (CID 114224850) is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine is CNC(CC1CCCC(F)(F)C1)C1CCCO1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
The InChIKey is SAEBUTVKMVJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-16-11(12-5-3-7-17-12)8-10-4-2-6-13(14,15)9-10/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine has a molecular weight of 247.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114224850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).