3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine

C8H11F2N — CID 163722280

IUPAC3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine
SMILESC=C(C)C(F)(F)C(=C)/C=N/C
InChIInChI=1S/C8H11F2N/c1-6(2)8(9,10)7(3)5-11-4/h5H,1,3H2,2,4H3/b11-5+
InChIKeyKSPGSFFNRSKCKY-VZUCSPMQSA-N
MW159.18 g/mol
LogP2.45
Rot. Bonds3

About 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine

3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine (PubChem CID 163722280) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine.

Molecular Properties

Compound Name3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine
PubChem CID163722280
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine
SMILESC=C(C)C(F)(F)C(=C)/C=N/C
InChIInChI=1S/C8H11F2N/c1-6(2)8(9,10)7(3)5-11-4/h5H,1,3H2,2,4H3/b11-5+
InChIKeyKSPGSFFNRSKCKY-VZUCSPMQSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
3,3-difluoro-N-methyl-2-methylidenebutan-1-imine
CID 123703338
(2Z)-N-ethyl-2-(fluoromethylidene)butan-1-imine
CID 134189354
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
N-but-1-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 143072100
(Z)-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-2-methylprop-2-en-1-imine
CID 144202314
(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine
CID 145446510
2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine
CID 163961614
(Z)-2-methyl-N-(2,2,2-trifluoroethyl)pent-2-en-1-imine
CID 143072457
4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine
CID 162596771
N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 170710110

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine?
The IUPAC name of 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine (CID 163722280) is 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine.
What is the SMILES notation for 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine?
The canonical SMILES for 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine is C=C(C)C(F)(F)C(=C)/C=N/C.
What is the InChIKey of 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine?
The InChIKey is KSPGSFFNRSKCKY-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6(2)8(9,10)7(3)5-11-4/h5H,1,3H2,2,4H3/b11-5+.
What are the key properties of 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine?
3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine has a molecular weight of 159.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine is sourced from PubChem (CID 163722280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).