N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine

C8H7ClF3N — CID 71648881

IUPACN-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3N/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4,13H,5H2
InChIKeyVSYUATQKFNEBJF-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.95
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine

N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine (PubChem CID 71648881) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
PubChem CID71648881
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC NameN-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClF3N/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4,13H,5H2
InChIKeyVSYUATQKFNEBJF-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
2-[(4-chlorophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790760
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine
CID 56602011
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
(4-chlorophenyl)methylhydrazine;hydrochloride
CID 3058470
N-[(4-chlorophenyl)methyl]methanethioamide
CID 58279664
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine (CID 71648881) is N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine is FC(F)(F)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine?
The InChIKey is VSYUATQKFNEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4,13H,5H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine?
N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine has a molecular weight of 209.60 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine is sourced from PubChem (CID 71648881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).