N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

C10H17F4NO — CID 103475749

IUPACN-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C10H17F4NO/c1-4-15-8(7(2)3)5-16-6-10(13,14)9(11)12/h8-9,15H,2,4-6H2,1,3H3
InChIKeyAAXMTTYKGCKGCH-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.46
Rot. Bonds8

About N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103475749) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103475749
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC NameN-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C10H17F4NO/c1-4-15-8(7(2)3)5-16-6-10(13,14)9(11)12/h8-9,15H,2,4-6H2,1,3H3
InChIKeyAAXMTTYKGCKGCH-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103475749) is N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=C(C)C(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is AAXMTTYKGCKGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-4-15-8(7(2)3)5-16-6-10(13,14)9(11)12/h8-9,15H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 243.24 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103475749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).