1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

C10H13ClF3NO — CID 106692843

IUPAC1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C10H13ClF3NO/c1-15-8(3-2-5-10(12,13)14)7-4-6-16-9(7)11/h4,6,8,15H,2-3,5H2,1H3
InChIKeyDVXQPVFDOYTUDP-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 106692843) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID106692843
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C10H13ClF3NO/c1-15-8(3-2-5-10(12,13)14)7-4-6-16-9(7)11/h4,6,8,15H,2-3,5H2,1H3
InChIKeyDVXQPVFDOYTUDP-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 106692843) is 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is DVXQPVFDOYTUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO/c1-15-8(3-2-5-10(12,13)14)7-4-6-16-9(7)11/h4,6,8,15H,2-3,5H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(2-chlorofuran-3-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-(2-chlorofuran-3-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 106692843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).