2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine

C13H16F3NO2 — CID 43752873

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)Cc2cccc(OC(CN)C(F)(F)F)c2O1
InChIInChI=1S/C13H16F3NO2/c1-12(2)6-8-4-3-5-9(11(8)19-12)18-10(7-17)13(14,15)16/h3-5,10H,6-7,17H2,1-2H3
InChIKeyABKBVVRSFGHPFV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine (PubChem CID 43752873) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine
PubChem CID43752873
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)Cc2cccc(OC(CN)C(F)(F)F)c2O1
InChIInChI=1S/C13H16F3NO2/c1-12(2)6-8-4-3-5-9(11(8)19-12)18-10(7-17)13(14,15)16/h3-5,10H,6-7,17H2,1-2H3
InChIKeyABKBVVRSFGHPFV-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
CID 83044315
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
CID 62901438
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
CID 79516769
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoate
CID 94156900
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
CID 62571340
2-amino-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylpentanenitrile
CID 64725603
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]aniline
CID 61262577
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine (CID 43752873) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine is CC1(C)Cc2cccc(OC(CN)C(F)(F)F)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine?
The InChIKey is ABKBVVRSFGHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2)6-8-4-3-5-9(11(8)19-12)18-10(7-17)13(14,15)16/h3-5,10H,6-7,17H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine has a molecular weight of 275.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).