(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine

C10H12F3N — CID 174026628

IUPAC(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESCC1=CCCC/C(C(F)(F)F)=C/N=C\1
InChIInChI=1S/C10H12F3N/c1-8-4-2-3-5-9(7-14-6-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b8-4?,9-7-,14-6-
InChIKeyJYWVXADASTZPBY-KCIRBDEYSA-N
MW203.21 g/mol
LogP3.63
Rot. Bonds

About (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine

(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine (PubChem CID 174026628) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine.

Molecular Properties

Compound Name(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine
PubChem CID174026628
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESCC1=CCCC/C(C(F)(F)F)=C/N=C\1
InChIInChI=1S/C10H12F3N/c1-8-4-2-3-5-9(7-14-6-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b8-4?,9-7-,14-6-
InChIKeyJYWVXADASTZPBY-KCIRBDEYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The IUPAC name of (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine (CID 174026628) is (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine.
What is the SMILES notation for (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The canonical SMILES for (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine is CC1=CCCC/C(C(F)(F)F)=C/N=C\1.
What is the InChIKey of (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The InChIKey is JYWVXADASTZPBY-KCIRBDEYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-8-4-2-3-5-9(7-14-6-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b8-4?,9-7-,14-6-.
What are the key properties of (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine?
(2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine has a molecular weight of 203.21 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-azonine is sourced from PubChem (CID 174026628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).