(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol

C12H14BrF3OS — CID 105113167

IUPAC(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cscc1Br)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-10-6-18-5-9(10)11(17)7-2-1-3-8(4-7)12(14,15)16/h5-8,11,17H,1-4H2
InChIKeyPDZKWUCATJYPNI-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.91
Rot. Bonds2

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

(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105113167) has the molecular formula C12H14BrF3OS and a molecular weight of 343.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105113167
Molecular FormulaC12H14BrF3OS
Molecular Weight343.21 g/mol
Exact Mass341.99
IUPAC Name(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cscc1Br)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-10-6-18-5-9(10)11(17)7-2-1-3-8(4-7)12(14,15)16/h5-8,11,17H,1-4H2
InChIKeyPDZKWUCATJYPNI-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105113167) is (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is OC(c1cscc1Br)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is PDZKWUCATJYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3OS/c13-10-6-18-5-9(10)11(17)7-2-1-3-8(4-7)12(14,15)16/h5-8,11,17H,1-4H2.
What are the key properties of (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 343.21 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105113167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).