1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine

C13H18ClF2NO — CID 114225707

IUPAC1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1ccoc1Cl
InChIInChI=1S/C13H18ClF2NO/c1-2-17-11(10-4-6-18-12(10)14)7-9-3-5-13(15,16)8-9/h4,6,9,11,17H,2-3,5,7-8H2,1H3
InChIKeyNMOUFVZCMKWBRO-UHFFFAOYSA-N
MW277.74 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine

1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine (PubChem CID 114225707) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
PubChem CID114225707
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1ccoc1Cl
InChIInChI=1S/C13H18ClF2NO/c1-2-17-11(10-4-6-18-12(10)14)7-9-3-5-13(15,16)8-9/h4,6,9,11,17H,2-3,5,7-8H2,1H3
InChIKeyNMOUFVZCMKWBRO-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114224899
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 114224922
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
1-(2-chlorofuran-3-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106688072
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine (CID 114225707) is 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine is CCNC(CC1CCC(F)(F)C1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine?
The InChIKey is NMOUFVZCMKWBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO/c1-2-17-11(10-4-6-18-12(10)14)7-9-3-5-13(15,16)8-9/h4,6,9,11,17H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine?
1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine has a molecular weight of 277.74 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 114225707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).