1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine

C8H14F3N — CID 163747208

IUPAC1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-12-7(6(2)3)8(9,10)11/h4,6-7,12H,1,5H2,2-3H3
InChIKeyLMWSTYZTPFQFFK-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.35
Rot. Bonds4

About 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine

1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine (PubChem CID 163747208) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine
PubChem CID163747208
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-12-7(6(2)3)8(9,10)11/h4,6-7,12H,1,5H2,2-3H3
InChIKeyLMWSTYZTPFQFFK-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

N-[(E)-3-fluoroprop-2-enyl]butan-2-amine
CID 23199520
3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine
CID 123709057
1,1,1-trifluoro-N-prop-2-enylpropan-2-amine
CID 130634171
3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine;prop-1-ene
CID 144359037
2,2-difluoro-3-methylbutane;ethene;N-ethylbutan-2-amine;4-fluoro-N-methylbutan-1-amine;prop-1-ene
CID 144538916
(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 155384151
2,2-difluoro-N-prop-2-enylpropan-1-amine
CID 157848156
N-(3-fluoroprop-2-enyl)butan-2-amine
CID 173367167
5,5,5-trifluoro-N-propylpent-1-en-3-amine
CID 65575777
4,4,4-trifluoro-N-prop-2-enylbutan-2-amine
CID 102613971
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
CID 102613980
1,1-difluoro-N-prop-2-enylpropan-2-amine
CID 102867628

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine (CID 163747208) is 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine is C=CCNC(C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine?
The InChIKey is LMWSTYZTPFQFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-5-12-7(6(2)3)8(9,10)11/h4,6-7,12H,1,5H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine?
1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-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 1,1,1-trifluoro-3-methyl-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 163747208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).