(2,4-dichloro-3,5,6-trifluorophenyl)methanamine

C7H4Cl2F3N — CID 119000719

IUPAC(2,4-dichloro-3,5,6-trifluorophenyl)methanamine
SMILESNCc1c(F)c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-3-2(1-13)5(10)7(12)4(9)6(3)11/h1,13H2
InChIKeyHLAJRSJODQEPNH-UHFFFAOYSA-N
MW230.02 g/mol
LogP2.87
Rot. Bonds1

About (2,4-dichloro-3,5,6-trifluorophenyl)methanamine

(2,4-dichloro-3,5,6-trifluorophenyl)methanamine (PubChem CID 119000719) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is (2,4-dichloro-3,5,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,4-dichloro-3,5,6-trifluorophenyl)methanamine
PubChem CID119000719
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name(2,4-dichloro-3,5,6-trifluorophenyl)methanamine
SMILESNCc1c(F)c(F)c(Cl)c(F)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-3-2(1-13)5(10)7(12)4(9)6(3)11/h1,13H2
InChIKeyHLAJRSJODQEPNH-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichlorobenzylamine
CID 1485
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
Benzenemethanamine, 2,4-dichloro-, hydrochloride
CID 52319
2,4-Dichlorobenzylamine hydrochloride
CID 24196451
2-Chloro-3,6-difluorobenzylamine
CID 2773545
(2-Chloro-3,4-difluorophenyl)methanamine hydrochloride
CID 67103566
(4-Chloro-2,5-difluorophenyl)methanamine hydrochloride
CID 86812399
(4-Chloro-2,6-difluorophenyl)methanamine hydrochloride
CID 118798962
1-(2,4-Dichloro-3-fluorophenyl)methanamine hydrochloride
CID 165986854
(2,4,6-Trichlorophenyl)methanamine hydrochloride
CID 165999371
2,4-Dichloro-5-fluorobenzylamine
CID 17750783
2-Chloro-4,5-difluorobenzylamine
CID 17750785

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3,5,6-trifluorophenyl)methanamine?
The IUPAC name of (2,4-dichloro-3,5,6-trifluorophenyl)methanamine (CID 119000719) is (2,4-dichloro-3,5,6-trifluorophenyl)methanamine.
What is the SMILES notation for (2,4-dichloro-3,5,6-trifluorophenyl)methanamine?
The canonical SMILES for (2,4-dichloro-3,5,6-trifluorophenyl)methanamine is NCc1c(F)c(F)c(Cl)c(F)c1Cl.
What is the InChIKey of (2,4-dichloro-3,5,6-trifluorophenyl)methanamine?
The InChIKey is HLAJRSJODQEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-3-2(1-13)5(10)7(12)4(9)6(3)11/h1,13H2.
What are the key properties of (2,4-dichloro-3,5,6-trifluorophenyl)methanamine?
(2,4-dichloro-3,5,6-trifluorophenyl)methanamine has a molecular weight of 230.02 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3,5,6-trifluorophenyl)methanamine is sourced from PubChem (CID 119000719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).