butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine

C19H25F2N — CID 142347279

IUPACbutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C
InChIInChI=1S/C15H15F2N.C4H10/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17;1-3-4-2/h3-6,8,12,18H,7H2,1-2H3;3-4H2,1-2H3/b6-4-,9-5-,10-3?,18-15+;
InChIKeyIOVOEQPMBZPQAY-PFMNITPYSA-N
MW305.41 g/mol
LogP6.37
Rot. Bonds1

About butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine

butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 142347279) has the molecular formula C19H25F2N and a molecular weight of 305.41 g/mol. Its IUPAC name is butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Namebutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID142347279
Molecular FormulaC19H25F2N
Molecular Weight305.41 g/mol
Exact Mass305.20
IUPAC Namebutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C
InChIInChI=1S/C15H15F2N.C4H10/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17;1-3-4-2/h3-6,8,12,18H,7H2,1-2H3;3-4H2,1-2H3/b6-4-,9-5-,10-3?,18-15+;
InChIKeyIOVOEQPMBZPQAY-PFMNITPYSA-N
XLogP6.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine with MolForge

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Launch Full Analysis

Related Compounds

8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
1-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
[2-Fluoro-4-imino-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methylideneazanide
CID 142522964
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142347280
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
3-Fluoro-4-(iminomethylidene)-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-imine
CID 142522965
(6Z,8Z)-10-ethylidene-2-fluoro-4,6-dimethyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144323904

Frequently Asked Questions

What is the IUPAC name of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine (CID 142347279) is butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine is CCCC.[H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C.
What is the InChIKey of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is IOVOEQPMBZPQAY-PFMNITPYSA-N. The full InChI is InChI=1S/C15H15F2N.C4H10/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17;1-3-4-2/h3-6,8,12,18H,7H2,1-2H3;3-4H2,1-2H3/b6-4-,9-5-,10-3?,18-15+;.
What are the key properties of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 305.41 g/mol, XLogP of 6.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 142347279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).