(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine

C7H11F3N2 — CID 123196500

IUPAC(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine
SMILES[H]/N=C(\C=C\C)CC(N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-3-5(11)4-6(12)7(8,9)10/h2-3,6,11H,4,12H2,1H3/b3-2+,11-5+
InChIKeyYRWDEVSYJQFPAI-FPGSQMRWSA-N
MW180.17 g/mol
LogP1.86
Rot. Bonds3

About (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine

(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine (PubChem CID 123196500) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine
PubChem CID123196500
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine
SMILES[H]/N=C(\C=C\C)CC(N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-3-5(11)4-6(12)7(8,9)10/h2-3,6,11H,4,12H2,1H3/b3-2+,11-5+
InChIKeyYRWDEVSYJQFPAI-FPGSQMRWSA-N
XLogP1.86
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
CID 166470688
(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine
CID 166907355
(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine
CID 176961882
(E)-6-fluoro-9-iminodec-5-en-2-amine
CID 157903040
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine
CID 166470689
2-Iminocyclohex-3-en-1-amine
CID 91537045

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine?
The IUPAC name of (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine (CID 123196500) is (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine?
The canonical SMILES for (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine is [H]/N=C(\C=C\C)CC(N)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine?
The InChIKey is YRWDEVSYJQFPAI-FPGSQMRWSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-3-5(11)4-6(12)7(8,9)10/h2-3,6,11H,4,12H2,1H3/b3-2+,11-5+.
What are the key properties of (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine?
(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine is sourced from PubChem (CID 123196500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).