1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine

C12H16ClF2NO — CID 114225805

IUPAC1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1ccc(Cl)o1
InChIInChI=1S/C12H16ClF2NO/c1-16-9(10-2-3-11(13)17-10)6-8-4-5-12(14,15)7-8/h2-3,8-9,16H,4-7H2,1H3
InChIKeyCYRCIPPDFQFBFD-UHFFFAOYSA-N
MW263.71 g/mol
LogP4.02
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine

1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine (PubChem CID 114225805) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
PubChem CID114225805
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1ccc(Cl)o1
InChIInChI=1S/C12H16ClF2NO/c1-16-9(10-2-3-11(13)17-10)6-8-4-5-12(14,15)7-8/h2-3,8-9,16H,4-7H2,1H3
InChIKeyCYRCIPPDFQFBFD-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
CID 114225707
1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
[1-(5-chlorofuran-2-yl)-2-cyclopropylethyl]hydrazine
CID 106694459
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 114224891
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 114225779

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine (CID 114225805) is 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine is CNC(CC1CCC(F)(F)C1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
The InChIKey is CYRCIPPDFQFBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2NO/c1-16-9(10-2-3-11(13)17-10)6-8-4-5-12(14,15)7-8/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine?
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine has a molecular weight of 263.71 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine is sourced from PubChem (CID 114225805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).