3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol

C9H11BrF3NOS — CID 79602703

IUPAC3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1cscc1Br)C(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-2-7(14)8(15,9(11,12)13)5-3-16-4-6(5)10/h3-4,7,15H,2,14H2,1H3
InChIKeyONMRYMQSBZPMGH-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.00
Rot. Bonds3

About 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol

3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol (PubChem CID 79602703) has the molecular formula C9H11BrF3NOS and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol
PubChem CID79602703
Molecular FormulaC9H11BrF3NOS
Molecular Weight318.16 g/mol
Exact Mass316.97
IUPAC Name3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1cscc1Br)C(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-2-7(14)8(15,9(11,12)13)5-3-16-4-6(5)10/h3-4,7,15H,2,14H2,1H3
InChIKeyONMRYMQSBZPMGH-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol (CID 79602703) is 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol is CCC(N)C(O)(c1cscc1Br)C(F)(F)F.
What is the InChIKey of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is ONMRYMQSBZPMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NOS/c1-2-7(14)8(15,9(11,12)13)5-3-16-4-6(5)10/h3-4,7,15H,2,14H2,1H3.
What are the key properties of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol?
3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 318.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 79602703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).