N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

C13H23F4NO2 — CID 103475709

IUPACN-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESCCNC(CCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C13H23F4NO2/c1-2-18-10(5-6-11-4-3-7-20-11)8-19-9-13(16,17)12(14)15/h10-12,18H,2-9H2,1H3
InChIKeyQKDLHVOALJELLF-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.84
Rot. Bonds10

About N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (PubChem CID 103475709) has the molecular formula C13H23F4NO2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
PubChem CID103475709
Molecular FormulaC13H23F4NO2
Molecular Weight301.32 g/mol
Exact Mass301.17
IUPAC NameN-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESCCNC(CCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C13H23F4NO2/c1-2-18-10(5-6-11-4-3-7-20-11)8-19-9-13(16,17)12(14)15/h10-12,18H,2-9H2,1H3
InChIKeyQKDLHVOALJELLF-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (CID 103475709) is N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The canonical SMILES for N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is CCNC(CCC1CCCO1)COCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The InChIKey is QKDLHVOALJELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO2/c1-2-18-10(5-6-11-4-3-7-20-11)8-19-9-13(16,17)12(14)15/h10-12,18H,2-9H2,1H3.
What are the key properties of N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine has a molecular weight of 301.32 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is sourced from PubChem (CID 103475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).