1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C12H14BrF3OS — CID 65153917

IUPAC1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cc(Br)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-9-4-10(18-7-9)6-11(17)3-1-2-8(5-11)12(14,15)16/h4,7-8,17H,1-3,5-6H2
InChIKeyOGVSXJPOBUZUJC-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.54
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65153917) has the molecular formula C12H14BrF3OS and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65153917
Molecular FormulaC12H14BrF3OS
Molecular Weight343.21 g/mol
Exact Mass341.99
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cc(Br)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14BrF3OS/c13-9-4-10(18-7-9)6-11(17)3-1-2-8(5-11)12(14,15)16/h4,7-8,17H,1-3,5-6H2
InChIKeyOGVSXJPOBUZUJC-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 65153917) is 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2cc(Br)cs2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OGVSXJPOBUZUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3OS/c13-9-4-10(18-7-9)6-11(17)3-1-2-8(5-11)12(14,15)16/h4,7-8,17H,1-3,5-6H2.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(4-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-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).