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

C8H10BrF2NOS — CID 104857818

IUPAC3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)s1
InChIInChI=1S/C8H10BrF2NOS/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2
InChIKeyRKMFDFWECNULFN-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.23
Rot. Bonds5

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

3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857818) has the molecular formula C8H10BrF2NOS and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857818
Molecular FormulaC8H10BrF2NOS
Molecular Weight286.14 g/mol
Exact Mass284.96
IUPAC Name3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)s1
InChIInChI=1S/C8H10BrF2NOS/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2
InChIKeyRKMFDFWECNULFN-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-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 104857818) is 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is RKMFDFWECNULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NOS/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(5-bromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-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-2-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).