N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine

C12H14F5NO — CID 75529792

IUPACN-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
SMILESFC(F)(F)C(F)(F)OCCCNCc1ccccc1
InChIInChI=1S/C12H14F5NO/c13-11(14,15)12(16,17)19-8-4-7-18-9-10-5-2-1-3-6-10/h1-3,5-6,18H,4,7-9H2
InChIKeyRNSKQBIIWXSDHA-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.34
Rot. Bonds7

About N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine

N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine (PubChem CID 75529792) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
PubChem CID75529792
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC NameN-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
SMILESFC(F)(F)C(F)(F)OCCCNCc1ccccc1
InChIInChI=1S/C12H14F5NO/c13-11(14,15)12(16,17)19-8-4-7-18-9-10-5-2-1-3-6-10/h1-3,5-6,18H,4,7-9H2
InChIKeyRNSKQBIIWXSDHA-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529948
N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
CID 75529839
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine?
The IUPAC name of N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine (CID 75529792) is N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine is FC(F)(F)C(F)(F)OCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine?
The InChIKey is RNSKQBIIWXSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c13-11(14,15)12(16,17)19-8-4-7-18-9-10-5-2-1-3-6-10/h1-3,5-6,18H,4,7-9H2.
What are the key properties of N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine?
N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine has a molecular weight of 283.24 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine is sourced from PubChem (CID 75529792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).