N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine

C9H18F3NO — CID 62567250

IUPACN-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-5-13-6-8(2)14-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyAVIPGXOIXCSWGJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine

N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine (PubChem CID 62567250) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
PubChem CID62567250
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-5-13-6-8(2)14-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyAVIPGXOIXCSWGJ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
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-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
CID 66276205
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine (CID 62567250) is N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine is CCCCNCC(C)OCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine?
The InChIKey is AVIPGXOIXCSWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-4-5-13-6-8(2)14-7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine?
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine is sourced from PubChem (CID 62567250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).