(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine

C11H15FN2 — CID 144891268

IUPAC(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine
SMILESCN(CCF)C1=C/C=C(N)\C=C/C=C\1
InChIInChI=1S/C11H15FN2/c1-14(9-8-12)11-5-3-2-4-10(13)6-7-11/h2-7H,8-9,13H2,1H3/b3-2-,4-2-,5-3-,7-6-,10-4+,10-6+,11-5+,11-7+
InChIKeyFGHNOLFOJSBILO-TZJFUFHCSA-N
MW194.25 g/mol
LogP1.74
Rot. Bonds3

About (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine

(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine (PubChem CID 144891268) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine
PubChem CID144891268
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine
SMILESCN(CCF)C1=C/C=C(N)\C=C/C=C\1
InChIInChI=1S/C11H15FN2/c1-14(9-8-12)11-5-3-2-4-10(13)6-7-11/h2-7H,8-9,13H2,1H3/b3-2-,4-2-,5-3-,7-6-,10-4+,10-6+,11-5+,11-7+
InChIKeyFGHNOLFOJSBILO-TZJFUFHCSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine?
The IUPAC name of (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine (CID 144891268) is (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine.
What is the SMILES notation for (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine?
The canonical SMILES for (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine is CN(CCF)C1=C/C=C(N)\C=C/C=C\1.
What is the InChIKey of (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine?
The InChIKey is FGHNOLFOJSBILO-TZJFUFHCSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14(9-8-12)11-5-3-2-4-10(13)6-7-11/h2-7H,8-9,13H2,1H3/b3-2-,4-2-,5-3-,7-6-,10-4+,10-6+,11-5+,11-7+.
What are the key properties of (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine?
(1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine has a molecular weight of 194.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7Z)-4-N-(2-fluoroethyl)-4-N-methylcycloocta-1,3,5,7-tetraene-1,4-diamine is sourced from PubChem (CID 144891268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).