3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol

C8H9Br2F2NOS — CID 106173029

IUPAC3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2F2NOS/c9-6-1-5(15-7(6)10)2-13-3-8(11,12)4-14/h1,13-14H,2-4H2
InChIKeyOIVDVJAMDCRWRY-UHFFFAOYSA-N
MW365.04 g/mol
LogP2.99
Rot. Bonds5

About 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106173029) has the molecular formula C8H9Br2F2NOS and a molecular weight of 365.04 g/mol. Its IUPAC name is 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106173029
Molecular FormulaC8H9Br2F2NOS
Molecular Weight365.04 g/mol
Exact Mass362.87
IUPAC Name3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2F2NOS/c9-6-1-5(15-7(6)10)2-13-3-8(11,12)4-14/h1,13-14H,2-4H2
InChIKeyOIVDVJAMDCRWRY-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.04
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 106173029) is 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1cc(Br)c(Br)s1.
What is the InChIKey of 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is OIVDVJAMDCRWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2F2NOS/c9-6-1-5(15-7(6)10)2-13-3-8(11,12)4-14/h1,13-14H,2-4H2.
What are the key properties of 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 365.04 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dibromothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106173029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).