1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine

C7H5Br2F4NS — CID 80532874

IUPAC1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1cc(Br)c(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C7H5Br2F4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2
InChIKeyVIFZZBUENPKXQG-UHFFFAOYSA-N
MW370.99 g/mol
LogP4.17
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine

1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 80532874) has the molecular formula C7H5Br2F4NS and a molecular weight of 370.99 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID80532874
Molecular FormulaC7H5Br2F4NS
Molecular Weight370.99 g/mol
Exact Mass368.84
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1cc(Br)c(Br)s1)C(F)(F)C(F)F
InChIInChI=1S/C7H5Br2F4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2
InChIKeyVIFZZBUENPKXQG-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.99
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine (CID 80532874) is 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine is NC(c1cc(Br)c(Br)s1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is VIFZZBUENPKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F4NS/c8-2-1-3(15-5(2)9)4(14)7(12,13)6(10)11/h1,4,6H,14H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine?
1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 370.99 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 80532874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).