(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine

C10H11FN2 — CID 164876767

IUPAC(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
SMILESC=C/C=C1/C(F)=CC=C(N)/C1=N\C
InChIInChI=1S/C10H11FN2/c1-3-4-7-8(11)5-6-9(12)10(7)13-2/h3-6H,1,12H2,2H3/b7-4-,13-10-
InChIKeyCMFTZMAXKBBNGM-OECUWBMNSA-N
MW178.21 g/mol
LogP1.88
Rot. Bonds1

About (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine

(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine (PubChem CID 164876767) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
PubChem CID164876767
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
SMILESC=C/C=C1/C(F)=CC=C(N)/C1=N\C
InChIInChI=1S/C10H11FN2/c1-3-4-7-8(11)5-6-9(12)10(7)13-2/h3-6H,1,12H2,2H3/b7-4-,13-10-
InChIKeyCMFTZMAXKBBNGM-OECUWBMNSA-N
XLogP1.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
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 (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine (CID 164876767) is (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine is C=C/C=C1/C(F)=CC=C(N)/C1=N\C.
What is the InChIKey of (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is CMFTZMAXKBBNGM-OECUWBMNSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-4-7-8(11)5-6-9(12)10(7)13-2/h3-6H,1,12H2,2H3/b7-4-,13-10-.
What are the key properties of (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 178.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 164876767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).