1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine

C6H6F6N2 — CID 149273405

IUPAC1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2H,13H2,1H3/b3-2?,14-4-
InChIKeyVZWPQUSFDLQXPN-MUCRZPDNSA-N
MW220.12 g/mol
LogP2.02
Rot. Bonds1

About 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine

1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine (PubChem CID 149273405) has the molecular formula C6H6F6N2 and a molecular weight of 220.12 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
PubChem CID149273405
Molecular FormulaC6H6F6N2
Molecular Weight220.12 g/mol
Exact Mass220.04
IUPAC Name1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2H,13H2,1H3/b3-2?,14-4-
InChIKeyVZWPQUSFDLQXPN-MUCRZPDNSA-N
XLogP2.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 52.02
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)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
butane;(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794466
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
CID 178152509
4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine
CID 147169530
1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine
CID 149218968
(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine
CID 162357936
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162549135

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine (CID 149273405) is 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine is C/N=C(/C=C(N)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine?
The InChIKey is VZWPQUSFDLQXPN-MUCRZPDNSA-N. The full InChI is InChI=1S/C6H6F6N2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2H,13H2,1H3/b3-2?,14-4-.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine?
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine has a molecular weight of 220.12 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 149273405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).