2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

C14H17F3O2 — CID 143454738

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)CC(O)(c1cccc2c1OCC2)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-9(2)8-13(18,14(15,16)17)11-5-3-4-10-6-7-19-12(10)11/h3-5,9,18H,6-8H2,1-2H3
InChIKeyQHTMJLAZEUAHLS-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.42
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 143454738) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID143454738
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)CC(O)(c1cccc2c1OCC2)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-9(2)8-13(18,14(15,16)17)11-5-3-4-10-6-7-19-12(10)11/h3-5,9,18H,6-8H2,1-2H3
InChIKeyQHTMJLAZEUAHLS-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 114743757
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
CID 10410664
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 143454738) is 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)CC(O)(c1cccc2c1OCC2)C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is QHTMJLAZEUAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-9(2)8-13(18,14(15,16)17)11-5-3-4-10-6-7-19-12(10)11/h3-5,9,18H,6-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 274.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 143454738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).