N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine

C12H14Cl2F3N — CID 115491413

IUPACN-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2F3N/c13-10-5-9(6-11(14)7-10)8-18-4-2-1-3-12(15,16)17/h5-7,18H,1-4,8H2
InChIKeyDMWTZUBLMQVENE-UHFFFAOYSA-N
MW300.15 g/mol
LogP4.82
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 115491413) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID115491413
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2F3N/c13-10-5-9(6-11(14)7-10)8-18-4-2-1-3-12(15,16)17/h5-7,18H,1-4,8H2
InChIKeyDMWTZUBLMQVENE-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.82
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

3-chloro-5-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327738
2-chloro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 115520310
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
3-bromo-5-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 115520249
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(4-bromo-3-fluorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491476
N-[(3-bromo-4-methylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113344570
2-chloro-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 115520154
2-fluoro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327736
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037114
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine (CID 115491413) is N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is DMWTZUBLMQVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3N/c13-10-5-9(6-11(14)7-10)8-18-4-2-1-3-12(15,16)17/h5-7,18H,1-4,8H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 300.15 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115491413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).