(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine

C11H14F3N — CID 138489085

IUPAC(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine
SMILESCC1=C/C=C\CC(CCC(F)(F)F)/N=C\1
InChIInChI=1S/C11H14F3N/c1-9-4-2-3-5-10(15-8-9)6-7-11(12,13)14/h2-4,8,10H,5-7H2,1H3/b3-2-,9-4-,15-8-
InChIKeyPINOTYDCRCRROP-DRQBQEGLSA-N
MW217.23 g/mol
LogP3.67
Rot. Bonds2

About (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine

(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine (PubChem CID 138489085) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine.

Molecular Properties

Compound Name(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine
PubChem CID138489085
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine
SMILESCC1=C/C=C\CC(CCC(F)(F)F)/N=C\1
InChIInChI=1S/C11H14F3N/c1-9-4-2-3-5-10(15-8-9)6-7-11(12,13)14/h2-4,8,10H,5-7H2,1H3/b3-2-,9-4-,15-8-
InChIKeyPINOTYDCRCRROP-DRQBQEGLSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine?
The IUPAC name of (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine (CID 138489085) is (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine.
What is the SMILES notation for (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine?
The canonical SMILES for (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine is CC1=C/C=C\CC(CCC(F)(F)F)/N=C\1.
What is the InChIKey of (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine?
The InChIKey is PINOTYDCRCRROP-DRQBQEGLSA-N. The full InChI is InChI=1S/C11H14F3N/c1-9-4-2-3-5-10(15-8-9)6-7-11(12,13)14/h2-4,8,10H,5-7H2,1H3/b3-2-,9-4-,15-8-.
What are the key properties of (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine?
(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine has a molecular weight of 217.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine is sourced from PubChem (CID 138489085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).