1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C15H14F4O2 — CID 114723916

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cc3cccc(F)c3o2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H14F4O2/c16-11-5-1-3-9-7-12(21-13(9)11)14(20)6-2-4-10(8-14)15(17,18)19/h1,3,5,7,10,20H,2,4,6,8H2
InChIKeyJSLMHPWRBHVGEL-UHFFFAOYSA-N
MW302.27 g/mol
LogP4.51
Rot. Bonds1

About 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114723916) has the molecular formula C15H14F4O2 and a molecular weight of 302.27 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114723916
Molecular FormulaC15H14F4O2
Molecular Weight302.27 g/mol
Exact Mass302.09
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cc3cccc(F)c3o2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H14F4O2/c16-11-5-1-3-9-7-12(21-13(9)11)14(20)6-2-4-10(8-14)15(17,18)19/h1,3,5,7,10,20H,2,4,6,8H2
InChIKeyJSLMHPWRBHVGEL-UHFFFAOYSA-N
XLogP4.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723920
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
CID 114734029
2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724478
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757033
1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 81197260

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114723916) is 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cc3cccc(F)c3o2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JSLMHPWRBHVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4O2/c16-11-5-1-3-9-7-12(21-13(9)11)14(20)6-2-4-10(8-14)15(17,18)19/h1,3,5,7,10,20H,2,4,6,8H2.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 302.27 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114723916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).