(E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine

C5H8F3N — CID 163756148

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

About (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine

(E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine (PubChem CID 163756148) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine
PubChem CID163756148
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine
SMILESCN/C(C)=C/C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(9-2)3-5(6,7)8/h3,9H,1-2H3/b4-3+
InChIKeyLUFQJXDAEKEOTG-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

(E)-N-methylbut-2-en-2-amine
CID 20657650
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
(E)-4-fluoro-N-methylbut-2-en-2-amine
CID 129208250
3,3,3-trifluoro-N-methylprop-1-en-2-amine
CID 129272081
(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 130243443
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
CID 135234850
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine
CID 142820920
N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 144327432
butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 145085890

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine?
The IUPAC name of (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine (CID 163756148) is (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine is CN/C(C)=C/C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine?
The InChIKey is LUFQJXDAEKEOTG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8F3N/c1-4(9-2)3-5(6,7)8/h3,9H,1-2H3/b4-3+.
What are the key properties of (E)-4,4,4-trifluoro-N-methylbut-2-en-2-amine?
(E)-4,4,4-trifluoro-N-methylbut-2-en-2-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)-4,4,4-trifluoro-N-methylbut-2-en-2-amine is sourced from PubChem (CID 163756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).