N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine

C12H24F3NO2 — CID 113327405

IUPACN-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
SMILESCCOC(CCNCCCCC(F)(F)F)OCC
InChIInChI=1S/C12H24F3NO2/c1-3-17-11(18-4-2)7-10-16-9-6-5-8-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyNFRPTTKAEXWIDE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.10
Rot. Bonds11

About N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine

N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 113327405) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
PubChem CID113327405
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC NameN-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
SMILESCCOC(CCNCCCCC(F)(F)F)OCC
InChIInChI=1S/C12H24F3NO2/c1-3-17-11(18-4-2)7-10-16-9-6-5-8-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyNFRPTTKAEXWIDE-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
N,N'-bis(3,3-diethoxypropyl)butane-1,4-diamine;bis(nitric acid)
CID 71361975
4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
CID 82789960
2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520408
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 78914464
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
CID 113481083
N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
CID 115406800

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine (CID 113327405) is N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine is CCOC(CCNCCCCC(F)(F)F)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is NFRPTTKAEXWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-3-17-11(18-4-2)7-10-16-9-6-5-8-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine?
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113327405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).