3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine

C13H14F3NO — CID 168924123

IUPAC3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(Cc1ccc2ccoc2c1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-2-17-12(13(14,15)16)8-9-3-4-10-5-6-18-11(10)7-9/h3-7,12,17H,2,8H2,1H3
InChIKeyNAXREFIVTHFEPN-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.52
Rot. Bonds4

About 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine

3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine (PubChem CID 168924123) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
PubChem CID168924123
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(Cc1ccc2ccoc2c1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-2-17-12(13(14,15)16)8-9-3-4-10-5-6-18-11(10)7-9/h3-7,12,17H,2,8H2,1H3
InChIKeyNAXREFIVTHFEPN-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
CID 168924242
3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
CID 166892615
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
CID 163688101
3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924245
1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
CID 166892538
6-(propan-2-yloxymethyl)-1-benzofuran
CID 171518537
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
CID 105030039

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine (CID 168924123) is 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine is CCNC(Cc1ccc2ccoc2c1)C(F)(F)F.
What is the InChIKey of 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is NAXREFIVTHFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-17-12(13(14,15)16)8-9-3-4-10-5-6-18-11(10)7-9/h3-7,12,17H,2,8H2,1H3.
What are the key properties of 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 257.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 168924123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).