N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine

C6H10F5N — CID 12654532

IUPACN,N-diethyl-1,1,2,2,2-pentafluoroethanamine
SMILESCCN(CC)C(C(F)(F)F)(F)F
InChIInChI=1S/C6H10F5N/c1-3-12(4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyUHAAENLNKMZPLX-UHFFFAOYSA-N
MW191.14 g/mol
LogP2.90
Rot. Bonds3

About N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine

N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine (PubChem CID 12654532) has the molecular formula C6H10F5N and a molecular weight of 191.14 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,2-pentafluoroethanamine.

Molecular Properties

Compound NameN,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine
PubChem CID12654532
Molecular FormulaC6H10F5N
Molecular Weight191.14 g/mol
Exact Mass191.07
IUPAC NameN,N-diethyl-1,1,2,2,2-pentafluoroethanamine
SMILESCCN(CC)C(C(F)(F)F)(F)F
InChIInChI=1S/C6H10F5N/c1-3-12(4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyUHAAENLNKMZPLX-UHFFFAOYSA-N
XLogP2.90
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity137

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
Ethanamine, 1,1,2,2-tetrafluoro-N,N-dimethyl-
CID 21945697
Dimethyl(2,2-difluoroethyl)amine
CID 136642
Tris(2,2,2-trifluoroethyl)amine
CID 14364151
Triethylamine Pentahydrofluoride
CID 10954597
N-Ethyl-N-(trifluoromethyl)ethanamine
CID 12654527
2-Fluoroethyl-(fluoromethyl)-dimethylazanium
CID 138503652
2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 10725976
1,1,2,2-Tetrafluoroethyldiethylamine
CID 12243206
N-ethyl-N-(fluoromethyl)ethanamine
CID 13661934
Dimethyl(tetrafluoroethyl)amine
CID 87090093
Methyl bis(2,2,2-trifluoroethyl)amine
CID 13741069

Frequently Asked Questions

What is the IUPAC name of N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine?
The IUPAC name of N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine (CID 12654532) is N,N-diethyl-1,1,2,2,2-pentafluoroethanamine.
What is the SMILES notation for N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine?
The canonical SMILES for N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine is CCN(CC)C(C(F)(F)F)(F)F.
What is the InChIKey of N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine?
The InChIKey is UHAAENLNKMZPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5N/c1-3-12(4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3.
What are the key properties of N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine?
N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine has a molecular weight of 191.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Diethyl-1,1,2,2,2-pentafluoroethan-1-amine is sourced from PubChem (CID 12654532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).