2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine

C8H14F3N — CID 162577386

IUPAC2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
SMILESC=C(C)C(C)CNCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)7(3)4-12-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyJDQLYTNCPAAKOH-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.35
Rot. Bonds4

About 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine

2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine (PubChem CID 162577386) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
PubChem CID162577386
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
SMILESC=C(C)C(C)CNCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)7(3)4-12-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyJDQLYTNCPAAKOH-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethyl-2-(fluoromethyl)-3-methylbut-3-en-1-amine
CID 89146560
4,4,4-trifluoro-N-(2-methylallyl)butan-1-amine
CID 115518167
3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine;prop-1-ene
CID 144359037
but-1-ene;ethene;3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 144359330
N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
CID 145467910
N-ethyl-4-fluoro-2-methylidenebutan-1-amine
CID 155190251
N-ethyl-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-en-1-amine
CID 155372991
4-fluoro-2-methylidene-N-propylbutan-1-amine
CID 169605943
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 170259901
2-methylidene-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 66044274
2-methylidene-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 66047587
N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine
CID 103516827

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine (CID 162577386) is 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine is C=C(C)C(C)CNCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The InChIKey is JDQLYTNCPAAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)7(3)4-12-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3.
What are the key properties of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine is sourced from PubChem (CID 162577386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).