N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine

C9H18F3NO — CID 115513495

IUPACN-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
SMILESCCOCCCNCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-14-8-4-7-13-6-3-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyRYTQTPJNTQVGBY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.35
Rot. Bonds8

About N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine

N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115513495) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115513495
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
SMILESCCOCCCNCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-14-8-4-7-13-6-3-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyRYTQTPJNTQVGBY-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'}

Analyze N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
CID 115513641
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276197
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine (CID 115513495) is N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine is CCOCCCNCCCC(F)(F)F.
What is the InChIKey of N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is RYTQTPJNTQVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-2-14-8-4-7-13-6-3-5-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine?
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-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 N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115513495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).