4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine

C9H18F3NO — CID 115513641

IUPAC4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
SMILESCOCCCCNCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-14-8-3-2-6-13-7-4-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyYICSPUYTROCLHD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.35
Rot. Bonds8

About 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine

4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine (PubChem CID 115513641) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
PubChem CID115513641
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
SMILESCOCCCCNCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-14-8-3-2-6-13-7-4-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyYICSPUYTROCLHD-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine (CID 115513641) is 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine is COCCCCNCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine?
The InChIKey is YICSPUYTROCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-14-8-3-2-6-13-7-4-5-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine?
4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine is sourced from PubChem (CID 115513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).