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

C7H11F4NO — CID 103474862

IUPAC1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,5-6H,1,3-4,12H2
InChIKeyZUHBGZHCWZEBNB-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.42
Rot. Bonds6

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

1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103474862) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103474862
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,5-6H,1,3-4,12H2
InChIKeyZUHBGZHCWZEBNB-UHFFFAOYSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.42
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

1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474803
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1-(oxan-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474954
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
[4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-yl]hydrazine
CID 103477610
[1-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477623
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 118376151
1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475112

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103474862) is 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=CC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is ZUHBGZHCWZEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,5-6H,1,3-4,12H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 201.16 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).