1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol

C9H10BrClFNO — CID 84812500

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C9H10BrClFNO/c1-13-4-9(14)5-2-7(11)6(10)3-8(5)12/h2-3,9,13-14H,4H2,1H3
InChIKeyDQKCTLPYMFUOQV-UHFFFAOYSA-N
MW282.54 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol

1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 84812500) has the molecular formula C9H10BrClFNO and a molecular weight of 282.54 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol
PubChem CID84812500
Molecular FormulaC9H10BrClFNO
Molecular Weight282.54 g/mol
Exact Mass280.96
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C9H10BrClFNO/c1-13-4-9(14)5-2-7(11)6(10)3-8(5)12/h2-3,9,13-14H,4H2,1H3
InChIKeyDQKCTLPYMFUOQV-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol (CID 84812500) is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is DQKCTLPYMFUOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO/c1-13-4-9(14)5-2-7(11)6(10)3-8(5)12/h2-3,9,13-14H,4H2,1H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 282.54 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84812500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).