N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine

C10H14F3NO — CID 43121184

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(C(C)NCC(F)(F)F)c(C)o1
InChIInChI=1S/C10H14F3NO/c1-6-4-9(8(3)15-6)7(2)14-5-10(11,12)13/h4,7,14H,5H2,1-3H3
InChIKeyTWISFLGMICONBS-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43121184) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43121184
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(C(C)NCC(F)(F)F)c(C)o1
InChIInChI=1S/C10H14F3NO/c1-6-4-9(8(3)15-6)7(2)14-5-10(11,12)13/h4,7,14H,5H2,1-3H3
InChIKeyTWISFLGMICONBS-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine (CID 43121184) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine is Cc1cc(C(C)NCC(F)(F)F)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is TWISFLGMICONBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6-4-9(8(3)15-6)7(2)14-5-10(11,12)13/h4,7,14H,5H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 221.22 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43121184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).