4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene

C13H17F3 — CID 172615218

IUPAC4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene
SMILESC=C/C=C(/CCC(F)(F)F)C1=CCC(C)C1
InChIInChI=1S/C13H17F3/c1-3-4-11(7-8-13(14,15)16)12-6-5-10(2)9-12/h3-4,6,10H,1,5,7-9H2,2H3/b11-4-
InChIKeyYZUYUOAXTAAZOS-WCIBSUBMSA-N
MW230.27 g/mol
LogP4.80
Rot. Bonds4

About 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene

4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene (PubChem CID 172615218) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene.

Molecular Properties

Compound Name4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene
PubChem CID172615218
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene
SMILESC=C/C=C(/CCC(F)(F)F)C1=CCC(C)C1
InChIInChI=1S/C13H17F3/c1-3-4-11(7-8-13(14,15)16)12-6-5-10(2)9-12/h3-4,6,10H,1,5,7-9H2,2H3/b11-4-
InChIKeyYZUYUOAXTAAZOS-WCIBSUBMSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7,11-Trimethyldodeca-2Z,4E-diene
CID 11830656
3,7,11-Trimethyldodeca-2E,4E-diene
CID 21599893
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene
CID 11063664
1-[(2R)-hept-6-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 90474811
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4-diene
CID 162897035
(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene
CID 162973367
(4E,6R,10S,11R,12aR)-11-fluoro-6,10,12a-trimethyl-3-propan-2-yl-2,6,7,8,9,10,11,12-octahydro-1H-cyclopenta[11]annulene
CID 176730632
2-[(1E,3E,5E,7E)-10,10-difluoro-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 132528098
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
(E,8S)-8-(trifluoromethyl)tetradec-6-ene
CID 162401663
7,8-Diethylbicyclo[4.2.1]nona-2,4,7-triene
CID 14943303

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene?
The IUPAC name of 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene (CID 172615218) is 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene.
What is the SMILES notation for 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene?
The canonical SMILES for 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene is C=C/C=C(/CCC(F)(F)F)C1=CCC(C)C1.
What is the InChIKey of 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene?
The InChIKey is YZUYUOAXTAAZOS-WCIBSUBMSA-N. The full InChI is InChI=1S/C13H17F3/c1-3-4-11(7-8-13(14,15)16)12-6-5-10(2)9-12/h3-4,6,10H,1,5,7-9H2,2H3/b11-4-.
What are the key properties of 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene?
4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene has a molecular weight of 230.27 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3Z)-7,7,7-trifluorohepta-1,3-dien-4-yl]cyclopentene is sourced from PubChem (CID 172615218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).