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

C14H13F2N — CID 142417735

IUPAC(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12
InChIInChI=1S/C14H13F2N/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16/h2-6,8,11,17H,7H2,1H3/b5-3-,6-4-,9-2?,17-13+
InChIKeyCZDLRLJKPOWAHH-MMMRNMJASA-N
MW233.26 g/mol
LogP4.18
Rot. Bonds

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

(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 142417735) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Name(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID142417735
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12
InChIInChI=1S/C14H13F2N/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16/h2-6,8,11,17H,7H2,1H3/b5-3-,6-4-,9-2?,17-13+
InChIKeyCZDLRLJKPOWAHH-MMMRNMJASA-N
XLogP4.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
(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

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine (CID 142417735) is (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine is [H]/N=C1\C=C/C=C\C(=CC)C2CC(F)=CC(F)=C12.
What is the InChIKey of (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is CZDLRLJKPOWAHH-MMMRNMJASA-N. The full InChI is InChI=1S/C14H13F2N/c1-2-9-5-3-4-6-13(17)14-11(9)7-10(15)8-12(14)16/h2-6,8,11,17H,7H2,1H3/b5-3-,6-4-,9-2?,17-13+.
What are the key properties of (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine?
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 233.26 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 142417735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).