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

C18H23F2N — CID 142417734

IUPACbutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12
InChIInChI=1S/C14H13F2N.C4H10/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16;1-3-4-2/h2-6,8,11,17H,7H2,1H3;3-4H2,1-2H3/b5-3-,6-4-,9-2?,17-13+;
InChIKeyRFCACXZKMMXBCL-GGXNSYPESA-N
MW291.39 g/mol
LogP5.98
Rot. Bonds1

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

butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 142417734) has the molecular formula C18H23F2N and a molecular weight of 291.39 g/mol. Its IUPAC name is butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Namebutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID142417734
Molecular FormulaC18H23F2N
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebutane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12
InChIInChI=1S/C14H13F2N.C4H10/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16;1-3-4-2/h2-6,8,11,17H,7H2,1H3;3-4H2,1-2H3/b5-3-,6-4-,9-2?,17-13+;
InChIKeyRFCACXZKMMXBCL-GGXNSYPESA-N
XLogP5.98
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.98
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-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-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
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
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
(3E,7E)-2-ethyl-8-fluoro-5-methyl-4-prop-1-en-2-ylnona-3,7-dienimidoyl fluoride
CID 169981578
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(4E)-2-methyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 176962621

Frequently Asked Questions

What is the IUPAC name of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine (CID 142417734) is butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine is CCCC.[H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12.
What is the InChIKey of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is RFCACXZKMMXBCL-GGXNSYPESA-N. The full InChI is InChI=1S/C14H13F2N.C4H10/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16;1-3-4-2/h2-6,8,11,17H,7H2,1H3;3-4H2,1-2H3/b5-3-,6-4-,9-2?,17-13+;.
What are the key properties of butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
butane;(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 291.39 g/mol, XLogP of 5.98, 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-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 142417734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).