(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine

C11H19F2N — CID 171833118

IUPAC(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
SMILESC/C=C(C(=N\C)\C(C)C)/C(F)(F)CC
InChIInChI=1S/C11H19F2N/c1-6-9(11(12,13)7-2)10(14-5)8(3)4/h6,8H,7H2,1-5H3/b9-6+,14-10+
InChIKeyCNCQFIYNLBEQLE-UYQSWCAZSA-N
MW203.28 g/mol
LogP3.70
Rot. Bonds4

About (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine

(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine (PubChem CID 171833118) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine.

Molecular Properties

Compound Name(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
PubChem CID171833118
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
SMILESC/C=C(C(=N\C)\C(C)C)/C(F)(F)CC
InChIInChI=1S/C11H19F2N/c1-6-9(11(12,13)7-2)10(14-5)8(3)4/h6,8H,7H2,1-5H3/b9-6+,14-10+
InChIKeyCNCQFIYNLBEQLE-UYQSWCAZSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.70
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

6-(1,1-Difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 123753518
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
ethene;(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144881
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
(3S)-6-(4,4-difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169114371
6-(4,4-Difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169750390
5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
CID 174320374

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine?
The IUPAC name of (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine (CID 171833118) is (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine.
What is the SMILES notation for (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine?
The canonical SMILES for (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine is C/C=C(C(=N\C)\C(C)C)/C(F)(F)CC.
What is the InChIKey of (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine?
The InChIKey is CNCQFIYNLBEQLE-UYQSWCAZSA-N. The full InChI is InChI=1S/C11H19F2N/c1-6-9(11(12,13)7-2)10(14-5)8(3)4/h6,8H,7H2,1-5H3/b9-6+,14-10+.
What are the key properties of (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine?
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine has a molecular weight of 203.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine is sourced from PubChem (CID 171833118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).