4,4-difluoro-1-methyliminopent-2-en-3-amine

C6H10F2N2 — CID 173480483

IUPAC4,4-difluoro-1-methyliminopent-2-en-3-amine
SMILESC/N=C/C=C(N)C(C)(F)F
InChIInChI=1S/C6H10F2N2/c1-6(7,8)5(9)3-4-10-2/h3-4H,9H2,1-2H3/b5-3?,10-4+
InChIKeyMPXACZLGBOGZIY-DLFZNRPYSA-N
MW148.16 g/mol
LogP1.18
Rot. Bonds2

About 4,4-difluoro-1-methyliminopent-2-en-3-amine

4,4-difluoro-1-methyliminopent-2-en-3-amine (PubChem CID 173480483) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4,4-difluoro-1-methyliminopent-2-en-3-amine.

Molecular Properties

Compound Name4,4-difluoro-1-methyliminopent-2-en-3-amine
PubChem CID173480483
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name4,4-difluoro-1-methyliminopent-2-en-3-amine
SMILESC/N=C/C=C(N)C(C)(F)F
InChIInChI=1S/C6H10F2N2/c1-6(7,8)5(9)3-4-10-2/h3-4H,9H2,1-2H3/b5-3?,10-4+
InChIKeyMPXACZLGBOGZIY-DLFZNRPYSA-N
XLogP1.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.18
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

1,1,1-Trifluoro-2-amino-4-(isobutylimino)pent-2-ene
CID 129807353
(Z)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 138509521
(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-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795
5,5,5-Trifluoro-4-methyliminopent-2-en-2-amine
CID 148914080
1,1,1-Trifluoro-4-methyliminopent-2-en-2-amine
CID 149047553

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyliminopent-2-en-3-amine?
The IUPAC name of 4,4-difluoro-1-methyliminopent-2-en-3-amine (CID 173480483) is 4,4-difluoro-1-methyliminopent-2-en-3-amine.
What is the SMILES notation for 4,4-difluoro-1-methyliminopent-2-en-3-amine?
The canonical SMILES for 4,4-difluoro-1-methyliminopent-2-en-3-amine is C/N=C/C=C(N)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-1-methyliminopent-2-en-3-amine?
The InChIKey is MPXACZLGBOGZIY-DLFZNRPYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-6(7,8)5(9)3-4-10-2/h3-4H,9H2,1-2H3/b5-3?,10-4+.
What are the key properties of 4,4-difluoro-1-methyliminopent-2-en-3-amine?
4,4-difluoro-1-methyliminopent-2-en-3-amine has a molecular weight of 148.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyliminopent-2-en-3-amine is sourced from PubChem (CID 173480483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).