(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene

C29H28F4S — CID 145203811

IUPAC(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene
SMILESC=C(/C=C(\F)C(=C)F)C(=C)/C(F)=C\C(=C)C1=CC=C(C(=C)/C(F)=c2/sc(CCC)cc2=C)CC1
InChIInChI=1S/C29H28F4S/c1-8-9-25-14-19(4)29(34-25)28(33)21(6)24-12-10-23(11-13-24)18(3)16-26(31)20(5)17(2)15-27(32)22(7)30/h10,12,14-16H,2-9,11,13H2,1H3/b26-16+,27-15+,29-28-
InChIKeyCMJBBSCCKUNCPO-JIWQZNSCSA-N
MW484.60 g/mol
LogP8.25
Rot. Bonds10

About (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene

(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene (PubChem CID 145203811) has the molecular formula C29H28F4S and a molecular weight of 484.60 g/mol. Its IUPAC name is (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene.

Molecular Properties

Compound Name(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene
PubChem CID145203811
Molecular FormulaC29H28F4S
Molecular Weight484.60 g/mol
Exact Mass484.18
IUPAC Name(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene
SMILESC=C(/C=C(\F)C(=C)F)C(=C)/C(F)=C\C(=C)C1=CC=C(C(=C)/C(F)=c2/sc(CCC)cc2=C)CC1
InChIInChI=1S/C29H28F4S/c1-8-9-25-14-19(4)29(34-25)28(33)21(6)24-12-10-23(11-13-24)18(3)16-26(31)20(5)17(2)15-27(32)22(7)30/h10,12,14-16H,2-9,11,13H2,1H3/b26-16+,27-15+,29-28-
InChIKeyCMJBBSCCKUNCPO-JIWQZNSCSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[2-[3-fluoro-4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-prop-2-enylthiophene
CID 145203823
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane
CID 153380781
2-(4-Butylcyclohex-3-en-1-yl)sulfanyl-1,3-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 156124393
3-Dodecylsulfanyl-1,2,5,6-tetrafluorocyclohexa-1,3-diene
CID 173485524
3-Decylsulfanyl-1,2,5,6-tetrafluorocyclohexa-1,3-diene
CID 173750000
4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-methylidene-3H-thiophen-3-id-4-yl)cyclopenten-1-yl]-5-methyl-2-methylidene-3H-thiophen-3-ylium
CID 101271306
3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-methylidene-3H-thiophen-4-yl)cyclopenten-1-yl]-2-methyl-5-methylidenethiophen-1-ium
CID 136785321
(2Z)-4-ethenyl-2-[(2Z,5E,7E)-7-[(3E)-3-[(6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]-4-prop-2-enylidenecyclohex-2-en-1-ylidene]prop-1-en-2-yl]-5-methylnona-2,5,7-trien-4-ylidene]-3-methylidene-5-[(Z)-prop-1-enyl]thiophene
CID 173828924

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene?
The IUPAC name of (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene (CID 145203811) is (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene.
What is the SMILES notation for (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene?
The canonical SMILES for (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene is C=C(/C=C(\F)C(=C)F)C(=C)/C(F)=C\C(=C)C1=CC=C(C(=C)/C(F)=c2/sc(CCC)cc2=C)CC1.
What is the InChIKey of (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene?
The InChIKey is CMJBBSCCKUNCPO-JIWQZNSCSA-N. The full InChI is InChI=1S/C29H28F4S/c1-8-9-25-14-19(4)29(34-25)28(33)21(6)24-12-10-23(11-13-24)18(3)16-26(31)20(5)17(2)15-27(32)22(7)30/h10,12,14-16H,2-9,11,13H2,1H3/b26-16+,27-15+,29-28-.
What are the key properties of (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene?
(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene has a molecular weight of 484.60 g/mol, XLogP of 8.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene is sourced from PubChem (CID 145203811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).