1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene

C12H14F2 — CID 142421579

IUPAC1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene
SMILESC=C/C(F)=C(/F)C(=C)C1=CC(C)CC1
InChIInChI=1S/C12H14F2/c1-4-11(13)12(14)9(3)10-6-5-8(2)7-10/h4,7-8H,1,3,5-6H2,2H3/b12-11-
InChIKeyBAVFSRMLOYMUBM-QXMHVHEDSA-N
MW196.24 g/mol
LogP4.24
Rot. Bonds3

About 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene

1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene (PubChem CID 142421579) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene.

Molecular Properties

Compound Name1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene
PubChem CID142421579
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene
SMILESC=C/C(F)=C(/F)C(=C)C1=CC(C)CC1
InChIInChI=1S/C12H14F2/c1-4-11(13)12(14)9(3)10-6-5-8(2)7-10/h4,7-8H,1,3,5-6H2,2H3/b12-11-
InChIKeyBAVFSRMLOYMUBM-QXMHVHEDSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 54.24
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-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
1-Cyclobutyl-5-fluorocyclopenta-1,3-diene
CID 18520924
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 19020210
5-Ethenyl-5-methyl-1-(3,4,4-trifluorobut-3-enyl)cyclohexa-1,3-diene
CID 19994176
(2E,4E)-1-fluoro-3,7,10,11-tetramethyldodeca-2,4,10-triene
CID 21522042
1-Fluoro-3,7,10,11-tetramethyldodeca-2,4,10-triene
CID 53708228
2-Fluoro-1-propan-2-ylcyclopenta-1,3-diene
CID 58130142
(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene
CID 58911970
1-Ethyl-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69946031
6-Propyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70308397
2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 70989541
6-Pentyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71163596

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene?
The IUPAC name of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene (CID 142421579) is 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene.
What is the SMILES notation for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene?
The canonical SMILES for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene is C=C/C(F)=C(/F)C(=C)C1=CC(C)CC1.
What is the InChIKey of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene?
The InChIKey is BAVFSRMLOYMUBM-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H14F2/c1-4-11(13)12(14)9(3)10-6-5-8(2)7-10/h4,7-8H,1,3,5-6H2,2H3/b12-11-.
What are the key properties of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene?
1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene has a molecular weight of 196.24 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3-methylcyclopentene is sourced from PubChem (CID 142421579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).