N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine

C11H11Cl3F3N — CID 107489074

IUPACN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl3F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2
InChIKeyDAKXAWJWHCAEBJ-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.60
Rot. Bonds5

About N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine

N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 107489074) has the molecular formula C11H11Cl3F3N and a molecular weight of 320.57 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID107489074
Molecular FormulaC11H11Cl3F3N
Molecular Weight320.57 g/mol
Exact Mass318.99
IUPAC NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl3F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2
InChIKeyDAKXAWJWHCAEBJ-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
N-(2,5-Dichlorobenzyl)-N-methylamine
CID 485428
Benzenemethanamine, 2,5-dichloro-N-ethyl-
CID 485429
Benzenemethanamine, 2,5-dichloro-N-propyl-
CID 485430
Benzenemethanamine, N-butyl-2,5-dichloro-
CID 485431
[(2,5-Dichlorophenyl)methyl](methyl)aminehydrochloride
CID 17954349
Benzylamine, p-chloro-N-(2-chloroethyl)-N-ethyl-
CID 46223
N-[(2,5-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 49796001
N-[(2,5-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 49796002
N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine
CID 10059902
o-Chloro-bis(2-chloroethyl)benzylamine
CID 16894
N,N-Bis(2-chloroethyl)-m-chlorobenzylamine
CID 16895

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine (CID 107489074) is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CN(CCCl)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is DAKXAWJWHCAEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2.
What are the key properties of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 320.57 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107489074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).