1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine

C6H8F3NO — CID 102653593

IUPAC1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCO1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h2,5H,1,3,10H2
InChIKeyXCRXBFAAMCQULD-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.18
Rot. Bonds1

About 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine

1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine (PubChem CID 102653593) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine
PubChem CID102653593
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCO1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h2,5H,1,3,10H2
InChIKeyXCRXBFAAMCQULD-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine (CID 102653593) is 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine is NC(C1=CCCO1)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine?
The InChIKey is XCRXBFAAMCQULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h2,5H,1,3,10H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine?
1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine has a molecular weight of 167.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 102653593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).