(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine

C5H7F4N — CID 170067381

IUPAC(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine
SMILESCN/C(=C(\C)F)C(F)(F)F
InChIInChI=1S/C5H7F4N/c1-3(6)4(10-2)5(7,8)9/h10H,1-2H3/b4-3+
InChIKeyUKGWAODZOPWVRG-ONEGZZNKSA-N
MW157.11 g/mol
LogP1.97
Rot. Bonds1

About (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine

(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine (PubChem CID 170067381) has the molecular formula C5H7F4N and a molecular weight of 157.11 g/mol. Its IUPAC name is (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine
PubChem CID170067381
Molecular FormulaC5H7F4N
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine
SMILESCN/C(=C(\C)F)C(F)(F)F
InChIInChI=1S/C5H7F4N/c1-3(6)4(10-2)5(7,8)9/h10H,1-2H3/b4-3+
InChIKeyUKGWAODZOPWVRG-ONEGZZNKSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-N-methylprop-1-en-2-amine
CID 129272081
(Z)-1,3,3,3-tetrafluoro-N-methylprop-1-en-2-amine
CID 130418378
1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine
CID 130418437
(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine
CID 130418460
1,1-difluoro-N-methylprop-1-en-2-amine
CID 132032621
(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
CID 146185975
(Z)-1,1,1,4,4,4-hexafluoro-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 156143436

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine?
The IUPAC name of (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine (CID 170067381) is (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine.
What is the SMILES notation for (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine?
The canonical SMILES for (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine is CN/C(=C(\C)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine?
The InChIKey is UKGWAODZOPWVRG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7F4N/c1-3(6)4(10-2)5(7,8)9/h10H,1-2H3/b4-3+.
What are the key properties of (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine?
(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine has a molecular weight of 157.11 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine is sourced from PubChem (CID 170067381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).