7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline

C26H33F2N — CID 144825847

IUPAC7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
SMILESCCC=CC(F)(CC)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C
InChIInChI=1S/C26H33F2N/c1-8-10-14-26(28,9-2)19-11-12-20(27)23-22(19)24-21(17(5)25(23,6)7)18(16(3)4)13-15-29-24/h10,12-15,19H,8-9,11H2,1-7H3
InChIKeyDTJDHFSQTCAQLM-UHFFFAOYSA-N
MW397.55 g/mol
LogP6.19
Rot. Bonds4

About 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline

7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline (PubChem CID 144825847) has the molecular formula C26H33F2N and a molecular weight of 397.55 g/mol. Its IUPAC name is 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
PubChem CID144825847
Molecular FormulaC26H33F2N
Molecular Weight397.55 g/mol
Exact Mass397.26
IUPAC Name7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
SMILESCCC=CC(F)(CC)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C
InChIInChI=1S/C26H33F2N/c1-8-10-14-26(28,9-2)19-11-12-20(27)23-22(19)24-21(17(5)25(23,6)7)18(16(3)4)13-15-29-24/h10,12-15,19H,8-9,11H2,1-7H3
InChIKeyDTJDHFSQTCAQLM-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline with MolForge

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Related Compounds

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6-trimethyl-9,10-dihydrobenzo[h]quinoline
CID 144427813
3-(1-But-1-enyl-2-ethylcyclopropyl)-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 155300341
4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine
CID 155419681
8-Methyl-6-(2,2,2-trifluoroethyl)-6,6a,7,8-tetrahydrobenzo[h]isoquinoline
CID 156544751
9-Fluoro-5-methyl-4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)-4a,5,9,10-tetrahydrobenzo[f]isoquinoline
CID 156544819
(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
CID 156706395
(12Z)-3-but-1-enyl-12-ethylidene-7-fluoro-2,9,9-trimethyl-10-propan-2-yl-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),6,8(16),10,13-pentaene
CID 164913551
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
4-(3,5-Dimethylcyclohex-3-en-1-yl)-7-fluoro-4a,5-dihydrobenzo[f]isoquinoline
CID 166812448
4-(3,5-Dimethylcyclohexa-1,3-dien-1-yl)-9-(trifluoromethyl)-6,6a-dihydrobenzo[f]isoquinoline
CID 166812482
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,9(17),12,14-hexaene
CID 166881024
3-Ethyl-6-fluoro-2,4,5,8,8,10,10-heptamethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,6,9(17),12,14-hexaene
CID 166881050

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The IUPAC name of 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline (CID 144825847) is 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline.
What is the SMILES notation for 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The canonical SMILES for 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline is CCC=CC(F)(CC)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C.
What is the InChIKey of 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The InChIKey is DTJDHFSQTCAQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N/c1-8-10-14-26(28,9-2)19-11-12-20(27)23-22(19)24-21(17(5)25(23,6)7)18(16(3)4)13-15-29-24/h10,12-15,19H,8-9,11H2,1-7H3.
What are the key properties of 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline has a molecular weight of 397.55 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline is sourced from PubChem (CID 144825847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).