(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide

C11H6Br3F4NO — CID 28936618

IUPAC(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C11H6Br3F4NO/c12-6-1-4(2-7(13)8(6)14)19-9(20)5-3-10(15,16)11(5,17)18/h1-2,5H,3H2,(H,19,20)/t5-/m1/s1
InChIKeyYDIXOUUASLAQPD-RXMQYKEDSA-N
MW483.88 g/mol
LogP5.20
Rot. Bonds2

About (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide

(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide (PubChem CID 28936618) has the molecular formula C11H6Br3F4NO and a molecular weight of 483.88 g/mol. Its IUPAC name is (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide
PubChem CID28936618
Molecular FormulaC11H6Br3F4NO
Molecular Weight483.88 g/mol
Exact Mass480.79
IUPAC Name(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C11H6Br3F4NO/c12-6-1-4(2-7(13)8(6)14)19-9(20)5-3-10(15,16)11(5,17)18/h1-2,5H,3H2,(H,19,20)/t5-/m1/s1
InChIKeyYDIXOUUASLAQPD-RXMQYKEDSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide?
The IUPAC name of (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide (CID 28936618) is (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide is O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1CC(F)(F)C1(F)F.
What is the InChIKey of (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide?
The InChIKey is YDIXOUUASLAQPD-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H6Br3F4NO/c12-6-1-4(2-7(13)8(6)14)19-9(20)5-3-10(15,16)11(5,17)18/h1-2,5H,3H2,(H,19,20)/t5-/m1/s1.
What are the key properties of (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide?
(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide has a molecular weight of 483.88 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 28936618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).