1,1-difluoro-4-methyliminobut-2-en-2-amine

C5H8F2N2 — CID 146689609

IUPAC1,1-difluoro-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-3-2-4(8)5(6)7/h2-3,5H,8H2,1H3/b4-2?,9-3+
InChIKeyXRFAKTXMHRETAF-QITHCVSXSA-N
MW134.13 g/mol
LogP0.79
Rot. Bonds2

About 1,1-difluoro-4-methyliminobut-2-en-2-amine

1,1-difluoro-4-methyliminobut-2-en-2-amine (PubChem CID 146689609) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1,1-difluoro-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methyliminobut-2-en-2-amine
PubChem CID146689609
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name1,1-difluoro-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-3-2-4(8)5(6)7/h2-3,5H,8H2,1H3/b4-2?,9-3+
InChIKeyXRFAKTXMHRETAF-QITHCVSXSA-N
XLogP0.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.79
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)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 88936986
(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine
CID 89025329
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
CID 138552377
4-Ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 142308477
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795
1,1,1-Trifluoro-4-iminobut-2-en-2-amine
CID 149125687

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methyliminobut-2-en-2-amine?
The IUPAC name of 1,1-difluoro-4-methyliminobut-2-en-2-amine (CID 146689609) is 1,1-difluoro-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methyliminobut-2-en-2-amine?
The canonical SMILES for 1,1-difluoro-4-methyliminobut-2-en-2-amine is C/N=C/C=C(N)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methyliminobut-2-en-2-amine?
The InChIKey is XRFAKTXMHRETAF-QITHCVSXSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-9-3-2-4(8)5(6)7/h2-3,5H,8H2,1H3/b4-2?,9-3+.
What are the key properties of 1,1-difluoro-4-methyliminobut-2-en-2-amine?
1,1-difluoro-4-methyliminobut-2-en-2-amine has a molecular weight of 134.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 146689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).