(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine

C7H12F2N2 — CID 138552377

IUPAC(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
SMILESCC(C)/C(N)=C/C=N/C(F)F
InChIInChI=1S/C7H12F2N2/c1-5(2)6(10)3-4-11-7(8)9/h3-5,7H,10H2,1-2H3/b6-3-,11-4+
InChIKeyUZINPEHRSZZUFB-WVVGTSEZSA-N
MW162.18 g/mol
LogP1.78
Rot. Bonds3

About (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine

(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine (PubChem CID 138552377) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
PubChem CID138552377
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
SMILESCC(C)/C(N)=C/C=N/C(F)F
InChIInChI=1S/C7H12F2N2/c1-5(2)6(10)3-4-11-7(8)9/h3-5,7H,10H2,1-2H3/b6-3-,11-4+
InChIKeyUZINPEHRSZZUFB-WVVGTSEZSA-N
XLogP1.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2-amino-4-(isobutylimino)pent-2-ene
CID 129807353
(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine
CID 118019234
(Z)-1,1,5,5-tetrafluoro-4-methyliminopent-2-en-2-amine
CID 118408959
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 138509521
(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
5,5,5-Trifluoro-4-methyliminopent-2-en-2-amine
CID 148914080
4-(2,2,2-Trifluoroethylimino)but-2-en-2-amine
CID 149412864
4-(Difluoromethylimino)but-2-en-2-amine
CID 154561749
(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine
CID 163557414

Frequently Asked Questions

What is the IUPAC name of (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine?
The IUPAC name of (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine (CID 138552377) is (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine.
What is the SMILES notation for (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine?
The canonical SMILES for (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine is CC(C)/C(N)=C/C=N/C(F)F.
What is the InChIKey of (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine?
The InChIKey is UZINPEHRSZZUFB-WVVGTSEZSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(2)6(10)3-4-11-7(8)9/h3-5,7H,10H2,1-2H3/b6-3-,11-4+.
What are the key properties of (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine?
(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine has a molecular weight of 162.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine is sourced from PubChem (CID 138552377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).