(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine

C5H6F4N2 — CID 171799213

IUPAC(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine
SMILES[H]/N=C(/C=C\N(C)F)C(F)(F)F
InChIInChI=1S/C5H6F4N2/c1-11(9)3-2-4(10)5(6,7)8/h2-3,10H,1H3/b3-2-,10-4-
InChIKeyLWURTNHWZOAYPT-AHYMPWADSA-N
MW170.11 g/mol
LogP1.90
Rot. Bonds2

About (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine

(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine (PubChem CID 171799213) has the molecular formula C5H6F4N2 and a molecular weight of 170.11 g/mol. Its IUPAC name is (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine
PubChem CID171799213
Molecular FormulaC5H6F4N2
Molecular Weight170.11 g/mol
Exact Mass170.05
IUPAC Name(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine
SMILES[H]/N=C(/C=C\N(C)F)C(F)(F)F
InChIInChI=1S/C5H6F4N2/c1-11(9)3-2-4(10)5(6,7)8/h2-3,10H,1H3/b3-2-,10-4-
InChIKeyLWURTNHWZOAYPT-AHYMPWADSA-N
XLogP1.90
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
CID 135268079
ethyl-[(Z)-4,4,4-trifluoro-3-iminobut-1-enyl]azanium
CID 142308476
(Z)-1,1,1-trifluoro-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 144204592
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
4,4,4-Trifluoro-3-iminobut-1-en-1-amine
CID 162535113
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654
4,4,4-Trifluoro-3-methyliminobut-1-en-1-amine
CID 173943264
4,4-Difluoro-3-methyliminobut-1-en-1-amine
CID 173976808
(Z)-4,4,4-trifluoro-3-methyliminobut-1-en-1-amine
CID 148093443
(Z)-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 162575792
(Z)-4,4,4-trifluoro-3-imino-N,N-dimethylbut-1-en-1-amine
CID 162606420

Frequently Asked Questions

What is the IUPAC name of (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine?
The IUPAC name of (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine (CID 171799213) is (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine is [H]/N=C(/C=C\N(C)F)C(F)(F)F.
What is the InChIKey of (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine?
The InChIKey is LWURTNHWZOAYPT-AHYMPWADSA-N. The full InChI is InChI=1S/C5H6F4N2/c1-11(9)3-2-4(10)5(6,7)8/h2-3,10H,1H3/b3-2-,10-4-.
What are the key properties of (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine?
(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine has a molecular weight of 170.11 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine is sourced from PubChem (CID 171799213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).