(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine

C12H16F3N — CID 90882963

IUPAC(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESCC(C)C1=C/CCCC=C(C(F)(F)F)/N=C\1
InChIInChI=1S/C12H16F3N/c1-9(2)10-6-4-3-5-7-11(16-8-10)12(13,14)15/h6-9H,3-5H2,1-2H3/b10-6+,11-7?,16-8-
InChIKeyWXARVLSAZQRGIX-ATWJAYJGSA-N
MW231.26 g/mol
LogP4.27
Rot. Bonds1

About (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine

(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine (PubChem CID 90882963) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine.

Molecular Properties

Compound Name(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
PubChem CID90882963
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESCC(C)C1=C/CCCC=C(C(F)(F)F)/N=C\1
InChIInChI=1S/C12H16F3N/c1-9(2)10-6-4-3-5-7-11(16-8-10)12(13,14)15/h6-9H,3-5H2,1-2H3/b10-6+,11-7?,16-8-
InChIKeyWXARVLSAZQRGIX-ATWJAYJGSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(2Z,3S)-N-[(E)-1,1-difluorohex-2-en-2-yl]-2-ethylidene-3-methylheptan-1-imine
CID 121405139
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
(E)-2-fluoro-4-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 139317360
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(E)-N-(3-methylpent-2-en-2-yl)-2-(trifluoromethyl)but-2-en-1-imine
CID 153358122
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
CID 171492771
(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
CID 171492888

Frequently Asked Questions

What is the IUPAC name of (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The IUPAC name of (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine (CID 90882963) is (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine.
What is the SMILES notation for (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The canonical SMILES for (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine is CC(C)C1=C/CCCC=C(C(F)(F)F)/N=C\1.
What is the InChIKey of (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The InChIKey is WXARVLSAZQRGIX-ATWJAYJGSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(2)10-6-4-3-5-7-11(16-8-10)12(13,14)15/h6-9H,3-5H2,1-2H3/b10-6+,11-7?,16-8-.
What are the key properties of (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine?
(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine has a molecular weight of 231.26 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine is sourced from PubChem (CID 90882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).