N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine

C12H19F8NO — CID 134276376

IUPACN-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine
SMILESCCCCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H19F8NO/c1-3-4-5-21(2)6-7-22-8-10(15,16)12(19,20)11(17,18)9(13)14/h9H,3-8H2,1-2H3
InChIKeyWDNSVLBVAUPKNB-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.91
Rot. Bonds11

About N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine

N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine (PubChem CID 134276376) has the molecular formula C12H19F8NO and a molecular weight of 345.27 g/mol. Its IUPAC name is N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine
PubChem CID134276376
Molecular FormulaC12H19F8NO
Molecular Weight345.27 g/mol
Exact Mass345.13
IUPAC NameN-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine
SMILESCCCCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H19F8NO/c1-3-4-5-21(2)6-7-22-8-10(15,16)12(19,20)11(17,18)9(13)14/h9H,3-8H2,1-2H3
InChIKeyWDNSVLBVAUPKNB-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine?
The IUPAC name of N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine (CID 134276376) is N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine is CCCCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine?
The InChIKey is WDNSVLBVAUPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F8NO/c1-3-4-5-21(2)6-7-22-8-10(15,16)12(19,20)11(17,18)9(13)14/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine?
N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine has a molecular weight of 345.27 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine is sourced from PubChem (CID 134276376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).