1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine

C8H13F2NO — CID 103517270

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNC(C1=CCCO1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-2-11-7(8(9)10)6-4-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3
InChIKeySCTFWVIBYFZDIR-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.53
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine (PubChem CID 103517270) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine
PubChem CID103517270
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNC(C1=CCCO1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-2-11-7(8(9)10)6-4-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3
InChIKeySCTFWVIBYFZDIR-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.53
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)-N-ethyl-2,2-difluoroethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine (CID 103517270) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine is CCNC(C1=CCCO1)C(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine?
The InChIKey is SCTFWVIBYFZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-11-7(8(9)10)6-4-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2-difluoroethanamine has a molecular weight of 177.19 g/mol, XLogP of 1.53, 4 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)-N-ethyl-2,2-difluoroethanamine is sourced from PubChem (CID 103517270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).