1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol

C14H17F3O2 — CID 64567200

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
SMILESCC1(C)Cc2cccc(C(O)CCC(F)(F)F)c2O1
InChIInChI=1S/C14H17F3O2/c1-13(2)8-9-4-3-5-10(12(9)19-13)11(18)6-7-14(15,16)17/h3-5,11,18H,6-8H2,1-2H3
InChIKeySYDULOPIKCYQPK-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 64567200) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID64567200
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
SMILESCC1(C)Cc2cccc(C(O)CCC(F)(F)F)c2O1
InChIInChI=1S/C14H17F3O2/c1-13(2)8-9-4-3-5-10(12(9)19-13)11(18)6-7-14(15,16)17/h3-5,11,18H,6-8H2,1-2H3
InChIKeySYDULOPIKCYQPK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 64510371
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-hydroxymethyl]pentanoic acid
CID 83043675
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 64506367
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
CID 64512506

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol (CID 64567200) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol is CC1(C)Cc2cccc(C(O)CCC(F)(F)F)c2O1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is SYDULOPIKCYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-13(2)8-9-4-3-5-10(12(9)19-13)11(18)6-7-14(15,16)17/h3-5,11,18H,6-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64567200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).