(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine

C5H7F3N2 — CID 138628577

IUPAC(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2+,10-3+
InChIKeyHFTRNAAKYVPMIT-KABOMBJNSA-N
MW152.12 g/mol
LogP1.09
Rot. Bonds1

About (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine

(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine (PubChem CID 138628577) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
PubChem CID138628577
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2+,10-3+
InChIKeyHFTRNAAKYVPMIT-KABOMBJNSA-N
XLogP1.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.09
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)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
CID 176692296
(Z)-2-chloro-N-methyl-3-(trifluoromethyl)pent-2-en-1-imine
CID 167093361
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol
CID 174092499
2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
CID 146703822
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
1,1,1,5,5,5-hexafluoro-4-hydroxy-3-(methyliminomethyl)pent-3-en-2-one
CID 136702973
methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
CID 149233706
2-chloroprop-1-en-1-amine
CID 151379752
N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide
CID 134987450
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
The IUPAC name of (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine (CID 138628577) is (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine is C/N=C/C(=C\N)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
The InChIKey is HFTRNAAKYVPMIT-KABOMBJNSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2+,10-3+.
What are the key properties of (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine has a molecular weight of 152.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 138628577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).