1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C11H15ClF3NO — CID 106692844

IUPAC1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C11H15ClF3NO/c1-2-16-9(4-3-6-11(13,14)15)8-5-7-17-10(8)12/h5,7,9,16H,2-4,6H2,1H3
InChIKeyKEASZMZXPZSSDK-UHFFFAOYSA-N
MW269.69 g/mol
LogP4.32
Rot. Bonds6

About 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 106692844) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID106692844
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C11H15ClF3NO/c1-2-16-9(4-3-6-11(13,14)15)8-5-7-17-10(8)12/h5,7,9,16H,2-4,6H2,1H3
InChIKeyKEASZMZXPZSSDK-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 54.32
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)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 106692844) is 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is KEASZMZXPZSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3NO/c1-2-16-9(4-3-6-11(13,14)15)8-5-7-17-10(8)12/h5,7,9,16H,2-4,6H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(2-chlorofuran-3-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 269.69 g/mol, XLogP of 4.32, 6 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)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 106692844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).