3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol

C8H10BrF2NOS — CID 103731524

IUPAC3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1csc(Br)c1)C(F)F
InChIInChI=1S/C8H10BrF2NOS/c9-7-1-5(4-14-7)2-12-3-6(13)8(10)11/h1,4,6,8,12-13H,2-3H2
InChIKeyCIYRLVFOBBYYNV-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.23
Rot. Bonds5

About 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731524) has the molecular formula C8H10BrF2NOS and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731524
Molecular FormulaC8H10BrF2NOS
Molecular Weight286.14 g/mol
Exact Mass284.96
IUPAC Name3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1csc(Br)c1)C(F)F
InChIInChI=1S/C8H10BrF2NOS/c9-7-1-5(4-14-7)2-12-3-6(13)8(10)11/h1,4,6,8,12-13H,2-3H2
InChIKeyCIYRLVFOBBYYNV-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103731524) is 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol is OC(CNCc1csc(Br)c1)C(F)F.
What is the InChIKey of 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is CIYRLVFOBBYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NOS/c9-7-1-5(4-14-7)2-12-3-6(13)8(10)11/h1,4,6,8,12-13H,2-3H2.
What are the key properties of 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 286.14 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).