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

C8H13F4NO — CID 103475411

IUPACN-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C8H13F4NO/c1-3-6(13-2)4-14-5-8(11,12)7(9)10/h3,6-7,13H,1,4-5H2,2H3
InChIKeyMXSFXVZDJVZAFO-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.68
Rot. Bonds7

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

N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103475411) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103475411
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC NameN-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C8H13F4NO/c1-3-6(13-2)4-14-5-8(11,12)7(9)10/h3,6-7,13H,1,4-5H2,2H3
InChIKeyMXSFXVZDJVZAFO-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.68
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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Related Compounds

N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
CID 62599030
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214750
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
N-propyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214756
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215666
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215725
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215733
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-amine
CID 103474862

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103475411) is N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=CC(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is MXSFXVZDJVZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-3-6(13-2)4-14-5-8(11,12)7(9)10/h3,6-7,13H,1,4-5H2,2H3.
What are the key properties of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 215.19 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103475411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).