3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

C13H25F4NO — CID 103475913

IUPAC3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C(CC)CC
InChIInChI=1S/C13H25F4NO/c1-4-7-18-11(10(5-2)6-3)8-19-9-13(16,17)12(14)15/h10-12,18H,4-9H2,1-3H3
InChIKeyFHUZVXJGAYYYNE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.71
Rot. Bonds11

About 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (PubChem CID 103475913) has the molecular formula C13H25F4NO and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
PubChem CID103475913
Molecular FormulaC13H25F4NO
Molecular Weight287.34 g/mol
Exact Mass287.19
IUPAC Name3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C(CC)CC
InChIInChI=1S/C13H25F4NO/c1-4-7-18-11(10(5-2)6-3)8-19-9-13(16,17)12(14)15/h10-12,18H,4-9H2,1-3H3
InChIKeyFHUZVXJGAYYYNE-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 104748998
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455623
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475947
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455622

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The IUPAC name of 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (CID 103475913) is 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is CCCNC(COCC(F)(F)C(F)F)C(CC)CC.
What is the InChIKey of 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The InChIKey is FHUZVXJGAYYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F4NO/c1-4-7-18-11(10(5-2)6-3)8-19-9-13(16,17)12(14)15/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is sourced from PubChem (CID 103475913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).