(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine

C9H10F3N — CID 176922193

IUPAC(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine
SMILESCC1=N/C=C(/C(F)(F)F)CC/C=C\1
InChIInChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h2,4,6H,3,5H2,1H3/b4-2-,8-6+,13-7-
InChIKeyPDYWBDRTOQJCLC-CRDAQIIHSA-N
MW189.18 g/mol
LogP3.24
Rot. Bonds

About (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine

(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine (PubChem CID 176922193) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine.

Molecular Properties

Compound Name(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine
PubChem CID176922193
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine
SMILESCC1=N/C=C(/C(F)(F)F)CC/C=C\1
InChIInChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h2,4,6H,3,5H2,1H3/b4-2-,8-6+,13-7-
InChIKeyPDYWBDRTOQJCLC-CRDAQIIHSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
3-propan-2-yl-7-(trifluoromethyl)-4H-azepine
CID 90882163
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine?
The IUPAC name of (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine (CID 176922193) is (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine.
What is the SMILES notation for (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine?
The canonical SMILES for (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine is CC1=N/C=C(/C(F)(F)F)CC/C=C\1.
What is the InChIKey of (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine?
The InChIKey is PDYWBDRTOQJCLC-CRDAQIIHSA-N. The full InChI is InChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h2,4,6H,3,5H2,1H3/b4-2-,8-6+,13-7-.
What are the key properties of (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine?
(2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine has a molecular weight of 189.18 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-8-methyl-3-(trifluoromethyl)-4,5-dihydroazocine is sourced from PubChem (CID 176922193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).