1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine

C9H16F3N — CID 163590280

IUPAC1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13-7(8(3,4)5)9(10,11)12/h7,13H,1H2,2-5H3
InChIKeyGOYPROKWUSYMMK-UHFFFAOYSA-N
MW195.23 g/mol
LogP3.09
Rot. Bonds2

About 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine

1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 163590280) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
PubChem CID163590280
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13-7(8(3,4)5)9(10,11)12/h7,13H,1H2,2-5H3
InChIKeyGOYPROKWUSYMMK-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
CID 58530456
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
1,1,1-trifluoro-N-prop-1-en-2-ylbutan-2-amine
CID 144271847
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
CID 162616930
3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
CID 164980647
(2R)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-amine
CID 164984562
N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
CID 166466547
3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
CID 58530871
3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
CID 90223922
2,2-dimethyl-N-prop-1-en-2-ylpentan-3-amine
CID 134352746
N-but-1-en-2-yl-3,3-dimethylbutan-2-amine
CID 155068751
1,1-difluoropropane;N-prop-1-en-2-ylpropan-1-amine
CID 172340123

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine (CID 163590280) is 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine is C=C(C)NC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is GOYPROKWUSYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)13-7(8(3,4)5)9(10,11)12/h7,13H,1H2,2-5H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?
1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 163590280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).