1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C9H10BrF3O2S — CID 103216730

IUPAC1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrF3O2S/c10-8-2-1-7(16-8)3-6(14)4-15-5-9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyDCLWUCVYKDTECJ-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.99
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103216730) has the molecular formula C9H10BrF3O2S and a molecular weight of 319.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103216730
Molecular FormulaC9H10BrF3O2S
Molecular Weight319.14 g/mol
Exact Mass317.95
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrF3O2S/c10-8-2-1-7(16-8)3-6(14)4-15-5-9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyDCLWUCVYKDTECJ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
CID 65132423
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60744071
1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216898
1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
CID 65149397
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103216730) is 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is DCLWUCVYKDTECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3O2S/c10-8-2-1-7(16-8)3-6(14)4-15-5-9(11,12)13/h1-2,6,14H,3-5H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 319.14 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).