N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine

C10H10Cl2F3N — CID 63226497

IUPACN-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2F3N/c11-8-2-1-3-9(12)7(8)6-16-5-4-10(13,14)15/h1-3,16H,4-6H2
InChIKeyGJIITIXUBDRZSF-UHFFFAOYSA-N
MW272.10 g/mol
LogP4.04
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226497) has the molecular formula C10H10Cl2F3N and a molecular weight of 272.10 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226497
Molecular FormulaC10H10Cl2F3N
Molecular Weight272.10 g/mol
Exact Mass271.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2F3N/c11-8-2-1-3-9(12)7(8)6-16-5-4-10(13,14)15/h1-3,16H,4-6H2
InChIKeyGJIITIXUBDRZSF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-[2-[(2,6-dichlorophenyl)methylamino]ethyldisulfanyl]ethanamine;hydrochloride
CID 15574751
3-chloro-2-[(3,3-dimethylbutylamino)methyl]phenol
CID 115625573
3-chloro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 114317858
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[3-(chloromethyl)phenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 65025247
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058645
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
N-[(2-chloro-6-nitrophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827170
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine (CID 63226497) is N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is GJIITIXUBDRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3N/c11-8-2-1-3-9(12)7(8)6-16-5-4-10(13,14)15/h1-3,16H,4-6H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 272.10 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).