(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

C8H14F2N2 — CID 88984410

IUPAC(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(/CF)N(C)C)CF
InChIInChI=1S/C8H14F2N2/c1-11-7(5-9)4-8(6-10)12(2)3/h4H,5-6H2,1-3H3/b8-4-,11-7-
InChIKeyUPJDBQQMKNZASS-DAOKFOGXSA-N
MW176.21 g/mol
LogP1.44
Rot. Bonds4

About (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (PubChem CID 88984410) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
PubChem CID88984410
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(/CF)N(C)C)CF
InChIInChI=1S/C8H14F2N2/c1-11-7(5-9)4-8(6-10)12(2)3/h4H,5-6H2,1-3H3/b8-4-,11-7-
InChIKeyUPJDBQQMKNZASS-DAOKFOGXSA-N
XLogP1.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (CID 88984410) is (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is C/N=C(/C=C(/CF)N(C)C)CF.
What is the InChIKey of (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The InChIKey is UPJDBQQMKNZASS-DAOKFOGXSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-11-7(5-9)4-8(6-10)12(2)3/h4H,5-6H2,1-3H3/b8-4-,11-7-.
What are the key properties of (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine has a molecular weight of 176.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 88984410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).