(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran

C10H9F3O — CID 102429036

IUPAC(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)C[C@H]1COc2ccccc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyQNDPJAOJUCEWPU-ZETCQYMHSA-N
MW202.18 g/mol
LogP3.12
Rot. Bonds1

About (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran

(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran (PubChem CID 102429036) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
PubChem CID102429036
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)C[C@H]1COc2ccccc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyQNDPJAOJUCEWPU-ZETCQYMHSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
3-[2-(chloromethyl)-2-phenylbutyl]-2,3-dihydro-1-benzofuran
CID 79220256
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64553362
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran (CID 102429036) is (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran is FC(F)(F)C[C@H]1COc2ccccc21.
What is the InChIKey of (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is QNDPJAOJUCEWPU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2/t7-/m0/s1.
What are the key properties of (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 202.18 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 102429036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).