(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

C12H14BrF3O2 — CID 105099560

IUPAC(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1occc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14BrF3O2/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,10,17H,1-4H2
InChIKeyIESQRHXJQJYCIG-UHFFFAOYSA-N
MW327.14 g/mol
LogP4.44
Rot. Bonds2

About (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105099560) has the molecular formula C12H14BrF3O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105099560
Molecular FormulaC12H14BrF3O2
Molecular Weight327.14 g/mol
Exact Mass326.01
IUPAC Name(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1occc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14BrF3O2/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,10,17H,1-4H2
InChIKeyIESQRHXJQJYCIG-UHFFFAOYSA-N
XLogP4.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105099560) is (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is OC(c1occc1Br)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is IESQRHXJQJYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3O2/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,10,17H,1-4H2.
What are the key properties of (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 327.14 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105099560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).