(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine

C8H9F3N2 — CID 174004317

IUPAC(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine
SMILESNC1=CCC/C=C(/C(F)(F)F)C=N1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-3-1-2-4-7(12)13-5-6/h3-5H,1-2,12H2/b6-3+,7-4?,13-5?
InChIKeyCWRRTUIMTQWYEI-VSCQTWDQSA-N
MW190.17 g/mol
LogP2.14
Rot. Bonds

About (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine

(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine (PubChem CID 174004317) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine.

Molecular Properties

Compound Name(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine
PubChem CID174004317
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine
SMILESNC1=CCC/C=C(/C(F)(F)F)C=N1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-3-1-2-4-7(12)13-5-6/h3-5H,1-2,12H2/b6-3+,7-4?,13-5?
InChIKeyCWRRTUIMTQWYEI-VSCQTWDQSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine?
The IUPAC name of (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine (CID 174004317) is (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine.
What is the SMILES notation for (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine?
The canonical SMILES for (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine is NC1=CCC/C=C(/C(F)(F)F)C=N1.
What is the InChIKey of (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine?
The InChIKey is CWRRTUIMTQWYEI-VSCQTWDQSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)6-3-1-2-4-7(12)13-5-6/h3-5H,1-2,12H2/b6-3+,7-4?,13-5?.
What are the key properties of (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine?
(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine has a molecular weight of 190.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine is sourced from PubChem (CID 174004317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).