(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine

C11H15F2N — CID 171492888

IUPAC(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
SMILESCC=C=C(C)/N=C/C(=C\C)C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h5-6,8H,1-4H3/b10-6+,14-8+
InChIKeyFGIKQMACFJEONW-FGEXGLGOSA-N
MW199.24 g/mol
LogP3.74
Rot. Bonds3

About (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine

(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine (PubChem CID 171492888) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
PubChem CID171492888
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
SMILESCC=C=C(C)/N=C/C(=C\C)C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h5-6,8H,1-4H3/b10-6+,14-8+
InChIKeyFGIKQMACFJEONW-FGEXGLGOSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 87065362
(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
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]butan-1-imine
CID 117825711
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
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
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine (CID 171492888) is (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine is CC=C=C(C)/N=C/C(=C\C)C(C)(F)F.
What is the InChIKey of (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine?
The InChIKey is FGIKQMACFJEONW-FGEXGLGOSA-N. The full InChI is InChI=1S/C11H15F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h5-6,8H,1-4H3/b10-6+,14-8+.
What are the key properties of (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine?
(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine has a molecular weight of 199.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine is sourced from PubChem (CID 171492888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).