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

C8H13F4N — CID 106737170

IUPAC3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
SMILESCC(C)=CCNCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4N/c1-6(2)3-4-13-5-8(11,12)7(9)10/h3,7,13H,4-5H2,1-2H3
InChIKeyDSVKNEMYJUVWGO-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.44
Rot. Bonds5

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

3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine (PubChem CID 106737170) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
PubChem CID106737170
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
SMILESCC(C)=CCNCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4N/c1-6(2)3-4-13-5-8(11,12)7(9)10/h3,7,13H,4-5H2,1-2H3
InChIKeyDSVKNEMYJUVWGO-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
CID 106294424
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine
CID 106547422
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
CID 106292221
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
CID 106547377
2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
CID 106293819
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106291499
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine (CID 106737170) is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine is CC(C)=CCNCC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine?
The InChIKey is DSVKNEMYJUVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c1-6(2)3-4-13-5-8(11,12)7(9)10/h3,7,13H,4-5H2,1-2H3.
What are the key properties of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine?
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine has a molecular weight of 199.19 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine is sourced from PubChem (CID 106737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).