[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H16F3NO — CID 69206408

IUPAC[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cccc(CC(F)(F)F)c3)c2O1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)9-11-3-1-4-12(7-11)15-6-2-5-13-8-14(10-21)22-16(13)15/h1-7,14H,8-10,21H2
InChIKeyNTBWNWQHGOUIBN-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.72
Rot. Bonds3

About [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 69206408) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID69206408
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cccc(CC(F)(F)F)c3)c2O1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)9-11-3-1-4-12(7-11)15-6-2-5-13-8-14(10-21)22-16(13)15/h1-7,14H,8-10,21H2
InChIKeyNTBWNWQHGOUIBN-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 69206408) is [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3cccc(CC(F)(F)F)c3)c2O1.
What is the InChIKey of [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is NTBWNWQHGOUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)9-11-3-1-4-12(7-11)15-6-2-5-13-8-14(10-21)22-16(13)15/h1-7,14H,8-10,21H2.
What are the key properties of [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 307.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 69206408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).