1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene

C13H14F2 — CID 101450858

IUPAC1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene
SMILESCc1ccc(C(C)(C)C=C=C(F)F)cc1
InChIInChI=1S/C13H14F2/c1-10-4-6-11(7-5-10)13(2,3)9-8-12(14)15/h4-7,9H,1-3H3
InChIKeyXJASZAAUPGHSPD-UHFFFAOYSA-N
MW208.25 g/mol
LogP4.21
Rot. Bonds2

About 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene

1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene (PubChem CID 101450858) has the molecular formula C13H14F2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene
PubChem CID101450858
Molecular FormulaC13H14F2
Molecular Weight208.25 g/mol
Exact Mass208.11
IUPAC Name1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene
SMILESCc1ccc(C(C)(C)C=C=C(F)F)cc1
InChIInChI=1S/C13H14F2/c1-10-4-6-11(7-5-10)13(2,3)9-8-12(14)15/h4-7,9H,1-3H3
InChIKeyXJASZAAUPGHSPD-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
CID 23652184
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
CID 143022578
2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
CID 143007917
(2R)-2-(4-methylphenyl)but-3-yn-2-ol
CID 51720513
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
CID 22261761
4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline
CID 158968166
2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675046
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene?
The IUPAC name of 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene (CID 101450858) is 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene is Cc1ccc(C(C)(C)C=C=C(F)F)cc1.
What is the InChIKey of 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene?
The InChIKey is XJASZAAUPGHSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2/c1-10-4-6-11(7-5-10)13(2,3)9-8-12(14)15/h4-7,9H,1-3H3.
What are the key properties of 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene?
1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene has a molecular weight of 208.25 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-2-methylpenta-3,4-dien-2-yl)-4-methylbenzene is sourced from PubChem (CID 101450858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).