(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine

C14H22F3N — CID 145096533

IUPAC(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine
SMILESC/C=C(\C=N\C(=C\CCC)C(F)(F)F)CCCC
InChIInChI=1S/C14H22F3N/c1-4-7-9-12(6-3)11-18-13(10-8-5-2)14(15,16)17/h6,10-11H,4-5,7-9H2,1-3H3/b12-6-,13-10+,18-11+
InChIKeyQRFIRYGMRUQDJK-BJOUVTQPSA-N
MW261.33 g/mol
LogP5.44
Rot. Bonds7

About (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine

(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine (PubChem CID 145096533) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine
PubChem CID145096533
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine
SMILESC/C=C(\C=N\C(=C\CCC)C(F)(F)F)CCCC
InChIInChI=1S/C14H22F3N/c1-4-7-9-12(6-3)11-18-13(10-8-5-2)14(15,16)17/h6,10-11H,4-5,7-9H2,1-3H3/b12-6-,13-10+,18-11+
InChIKeyQRFIRYGMRUQDJK-BJOUVTQPSA-N
XLogP5.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.33
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 90882963
(2Z,3S)-N-[(E)-1,1-difluorohex-2-en-2-yl]-2-ethylidene-3-methylheptan-1-imine
CID 121405139
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
CID 131982774
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine?
The IUPAC name of (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine (CID 145096533) is (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine.
What is the SMILES notation for (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine?
The canonical SMILES for (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine is C/C=C(\C=N\C(=C\CCC)C(F)(F)F)CCCC.
What is the InChIKey of (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine?
The InChIKey is QRFIRYGMRUQDJK-BJOUVTQPSA-N. The full InChI is InChI=1S/C14H22F3N/c1-4-7-9-12(6-3)11-18-13(10-8-5-2)14(15,16)17/h6,10-11H,4-5,7-9H2,1-3H3/b12-6-,13-10+,18-11+.
What are the key properties of (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine?
(2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine has a molecular weight of 261.33 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]hexan-1-imine is sourced from PubChem (CID 145096533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).