(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

C5H8F3N — CID 134257496

IUPAC(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCN/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(3-9-2)5(6,7)8/h3,9H,1-2H3/b4-3+
InChIKeyGWFDPDMKVKMDAF-ONEGZZNKSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds1

About (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (PubChem CID 134257496) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
PubChem CID134257496
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCN/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(3-9-2)5(6,7)8/h3,9H,1-2H3/b4-3+
InChIKeyGWFDPDMKVKMDAF-ONEGZZNKSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
(E)-3,3,3-trifluoro-2-methylprop-1-en-1-amine
CID 88441129
(E)-3,3-difluoro-N,2-dimethylprop-1-en-1-amine
CID 139563799
1-(3,3-difluorocyclobutylidene)-N-methylmethanamine
CID 141354931
(E)-N-ethyl-2-(trifluoromethyl)but-1-en-1-amine
CID 141874247
(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine
CID 145356079
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
CID 146537502
(E)-3,3-difluoro-2-methylbut-1-en-1-amine
CID 149312346
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine
CID 162574624
(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine
CID 163791964
3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
CID 169260785
ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 172585818

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (CID 134257496) is (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is CN/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The InChIKey is GWFDPDMKVKMDAF-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8F3N/c1-4(3-9-2)5(6,7)8/h3,9H,1-2H3/b4-3+.
What are the key properties of (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is sourced from PubChem (CID 134257496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).