2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C14H23F2NO — CID 114224832

IUPAC2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1CC2CCC1O2
InChIInChI=1S/C14H23F2NO/c1-17-12(6-9-4-5-14(15,16)8-9)11-7-10-2-3-13(11)18-10/h9-13,17H,2-8H2,1H3
InChIKeyLXLGAHSPQZULFI-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.97
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 114224832) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID114224832
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1CC2CCC1O2
InChIInChI=1S/C14H23F2NO/c1-17-12(6-9-4-5-14(15,16)8-9)11-7-10-2-3-13(11)18-10/h9-13,17H,2-8H2,1H3
InChIKeyLXLGAHSPQZULFI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 64565379
4,4,4-trifluoro-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 64565380
N-ethyl-4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 64565381
4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylbutan-1-amine
CID 64565589
2,2,2-Trifluoro-1-{7-oxabicyclo[2.2.1]heptan-2-yl}ethan-1-amine
CID 66466798
4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992625
4,4,4-trifluoro-N-methyl-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992979
5,5,5-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
CID 105023846
5,5,5-trifluoro-N-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105023849
5,5,5-trifluoro-1-(2-methyloxolan-3-yl)-N-propylpentan-1-amine
CID 105024269
5,5,5-trifluoro-1-(5-methyloxolan-3-yl)-N-propylpentan-1-amine
CID 105024349
N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024350

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 114224832) is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CNC(CC1CCC(F)(F)C1)C1CC2CCC1O2.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is LXLGAHSPQZULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-17-12(6-9-4-5-14(15,16)8-9)11-7-10-2-3-13(11)18-10/h9-13,17H,2-8H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 259.34 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-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 114224832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).