(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine

C7H11F3N2 — CID 144514836

IUPAC(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine
SMILESC/N=C/C(=C(\C)NC)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4,12H,1-3H3/b6-5-,11-4+
InChIKeyKPQUTQYPMHVJNU-VWXLBWAMSA-N
MW180.17 g/mol
LogP1.74
Rot. Bonds2

About (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine

(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine (PubChem CID 144514836) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine
PubChem CID144514836
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine
SMILESC/N=C/C(=C(\C)NC)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4,12H,1-3H3/b6-5-,11-4+
InChIKeyKPQUTQYPMHVJNU-VWXLBWAMSA-N
XLogP1.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine
CID 143578330
1,1-Difluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 145390072
1,1,1-Trifluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 149190192
(3-Amino-1-fluoro-2-methylbut-2-enylidene)-methylazanium
CID 158774485
(3-Amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium
CID 159270716
1,1,1-trifluoro-2-N-methyl-4-methyliminobut-2-ene-2,3-diamine
CID 173500632
1,1,1-trifluoro-N,3-dimethyl-4-methyliminobut-2-en-2-amine
CID 173539145
N,2-dimethyl-3-(methylamino)but-2-enimidoyl fluoride
CID 173539474
1,1-Difluoro-4-imino-3-methylbut-2-en-2-amine
CID 173910396
CID 173936573
CID 173936573
(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine
CID 145011887
1,1,1-Trifluoro-4-methyliminobut-2-ene-2,3-diamine
CID 163952324

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine (CID 144514836) is (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine is C/N=C/C(=C(\C)NC)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine?
The InChIKey is KPQUTQYPMHVJNU-VWXLBWAMSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4,12H,1-3H3/b6-5-,11-4+.
What are the key properties of (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine?
(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine is sourced from PubChem (CID 144514836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).