2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine

C14H16F3NO — CID 146168849

IUPAC2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)[C@H]1C=C(c2ccc(C(F)(F)F)cn2)OC1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)10-6-12(19-8-10)11-5-4-9(7-18-11)14(15,16)17/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyARJVFUGWLCGMHW-JTQLQIEISA-N
MW271.28 g/mol
LogP4.13
Rot. Bonds1

About 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine

2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine (PubChem CID 146168849) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine
PubChem CID146168849
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)[C@H]1C=C(c2ccc(C(F)(F)F)cn2)OC1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)10-6-12(19-8-10)11-5-4-9(7-18-11)14(15,16)17/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyARJVFUGWLCGMHW-JTQLQIEISA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine (CID 146168849) is 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine is CC(C)(C)[C@H]1C=C(c2ccc(C(F)(F)F)cn2)OC1.
What is the InChIKey of 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is ARJVFUGWLCGMHW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3NO/c1-13(2,3)10-6-12(19-8-10)11-5-4-9(7-18-11)14(15,16)17/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine?
2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 271.28 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-tert-butyl-2,3-dihydrofuran-5-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 146168849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).