N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine

C9H18F3NO2 — CID 78914464

IUPACN-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CNCCC(F)(F)F)OCC
InChIInChI=1S/C9H18F3NO2/c1-3-14-8(15-4-2)7-13-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyLCKSDQFQUQWGQZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.93
Rot. Bonds8

About N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine

N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 78914464) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID78914464
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC NameN-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CNCCC(F)(F)F)OCC
InChIInChI=1S/C9H18F3NO2/c1-3-14-8(15-4-2)7-13-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyLCKSDQFQUQWGQZ-UHFFFAOYSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.93
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

1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
4-(2,2-diethoxyethylamino)butan-1-ol
CID 106841702
N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81094464
N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
CID 81095053
N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
CID 115406800
3,3-dimethyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 112555996
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
CID 81093278
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine (CID 78914464) is N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine is CCOC(CNCCC(F)(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is LCKSDQFQUQWGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-3-14-8(15-4-2)7-13-6-5-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine?
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 78914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).