(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine

C7H11F3N2 — CID 170414993

IUPAC(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCCC(/C=N/C)=C(/N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-5(4-12-2)6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-5-,12-4+
InChIKeyMRKYCGGLJGMADB-JWUPWDRQSA-N
MW180.17 g/mol
LogP1.87
Rot. Bonds2

About (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine

(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine (PubChem CID 170414993) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
PubChem CID170414993
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCCC(/C=N/C)=C(/N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-5(4-12-2)6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-5-,12-4+
InChIKeyMRKYCGGLJGMADB-JWUPWDRQSA-N
XLogP1.87
TPSA38.38 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 ≤ 51.87
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

(Z)-1-ethylimino-2-fluoropent-2-en-3-amine
CID 89418430
(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
5-(Fluoromethyl)-2,3-dihydropyridin-4-amine
CID 129146164
5-(Trifluoromethyl)-2,3-dihydropyridin-4-amine
CID 143402600
1,1-Difluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 145390072
(Z)-5,5,5-trifluoro-3-methanimidoylpent-2-en-2-amine
CID 145695983
1,1,1-Trifluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 149190192
1,1,1-Trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162554821
(2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
CID 163379957
N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
CID 166907334
(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
CID 167447412
(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 170386989

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine (CID 170414993) is (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine is CCC(/C=N/C)=C(/N)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine?
The InChIKey is MRKYCGGLJGMADB-JWUPWDRQSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-3-5(4-12-2)6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-5-,12-4+.
What are the key properties of (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine?
(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine is sourced from PubChem (CID 170414993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).