1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C12H14BrF3OS — CID 65154237

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2sccc2Br)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-9-3-5-18-10(9)7-11(17)4-1-2-8(6-11)12(14,15)16/h3,5,8,17H,1-2,4,6-7H2
InChIKeyZFIGILJITDGAFT-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.54
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65154237) has the molecular formula C12H14BrF3OS and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65154237
Molecular FormulaC12H14BrF3OS
Molecular Weight343.21 g/mol
Exact Mass341.99
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2sccc2Br)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-9-3-5-18-10(9)7-11(17)4-1-2-8(6-11)12(14,15)16/h3,5,8,17H,1-2,4,6-7H2
InChIKeyZFIGILJITDGAFT-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 65154237) is 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2sccc2Br)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ZFIGILJITDGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3OS/c13-9-3-5-18-10(9)7-11(17)4-1-2-8(6-11)12(14,15)16/h3,5,8,17H,1-2,4,6-7H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 343.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65154237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).