1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine

C9H8Cl2F3N — CID 61271013

IUPAC1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3N/c1-15-8(9(12,13)14)6-3-2-5(10)4-7(6)11/h2-4,8,15H,1H3
InChIKeyRRJWNNCYQJSBOM-UHFFFAOYSA-N
MW258.07 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine

1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 61271013) has the molecular formula C9H8Cl2F3N and a molecular weight of 258.07 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID61271013
Molecular FormulaC9H8Cl2F3N
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Name1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3N/c1-15-8(9(12,13)14)6-3-2-5(10)4-7(6)11/h2-4,8,15H,1H3
InChIKeyRRJWNNCYQJSBOM-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 115483827
(1S)-N-(azetidin-3-ylmethyl)-1-(2,4-dichlorophenyl)-2,2,2-trifluoroethanamine
CID 146380711
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
CID 116954245
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760823
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63501913

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine (CID 61271013) is 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is RRJWNNCYQJSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3N/c1-15-8(9(12,13)14)6-3-2-5(10)4-7(6)11/h2-4,8,15H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine?
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 258.07 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 61271013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).