1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

C10H13ClF3NO — CID 106692847

IUPAC1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(Cl)o1
InChIInChI=1S/C10H13ClF3NO/c1-15-7(3-2-6-10(12,13)14)8-4-5-9(11)16-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyIMOHMWXGIBTJFD-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.93
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 106692847) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID106692847
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(Cl)o1
InChIInChI=1S/C10H13ClF3NO/c1-15-7(3-2-6-10(12,13)14)8-4-5-9(11)16-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyIMOHMWXGIBTJFD-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(5-chlorofuran-2-yl)-2-ethoxy-N-methylethanamine
CID 106692547
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 106691674
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 115516928
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 106692847) is 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is IMOHMWXGIBTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO/c1-15-7(3-2-6-10(12,13)14)8-4-5-9(11)16-8/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 255.67 g/mol, XLogP of 3.93, 5 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)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 106692847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).