4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine

C8H14F3N — CID 102613980

IUPAC4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)5-12-7(3)4-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyFDBKXAYLLUUFLC-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.49
Rot. Bonds4

About 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine

4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine (PubChem CID 102613980) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
PubChem CID102613980
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)5-12-7(3)4-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyFDBKXAYLLUUFLC-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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

2-Methyl-N-(propan-2-yl)prop-2-en-1-amine
CID 12844965
N-(3-fluoropropyl)-2-methylprop-2-en-1-amine
CID 89887494
4,4,4-trifluoro-N-(2-methylallyl)butan-1-amine
CID 115518167
N-[(Z)-but-2-en-2-yl]-2-(trifluoromethyl)prop-2-en-1-amine
CID 142459297
N-ethyl-1-fluoro-2-methylprop-2-en-1-amine
CID 155275000
(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 155384151
1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine
CID 163747208
3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
CID 169260785
3-fluoro-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 169886477
4-fluoro-2-methylidene-N-propan-2-ylbutan-1-amine
CID 169977414
1,1,1-trifluoro-N,3-dimethylbut-3-en-2-amine
CID 55283711
2-methyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 60690630

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine (CID 102613980) is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine is C=C(C)CNC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The InChIKey is FDBKXAYLLUUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)5-12-7(3)4-8(9,10)11/h7,12H,1,4-5H2,2-3H3.
What are the key properties of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 102613980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).