1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene

C19H20F4 — CID 90876868

IUPAC1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
SMILESC=Cc1ccc(CCCCC)cc1.Fc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H18.C6H2F4/c1-3-5-6-7-13-10-8-12(4-2)9-11-13;7-3-1-4(8)6(10)5(9)2-3/h4,8-11H,2-3,5-7H2,1H3;1-2H
InChIKeyQYXKWIMOKRZDRC-UHFFFAOYSA-N
MW324.36 g/mol
LogP6.31
Rot. Bonds5

About 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene

1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene (PubChem CID 90876868) has the molecular formula C19H20F4 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene.

Molecular Properties

Compound Name1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
PubChem CID90876868
Molecular FormulaC19H20F4
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
SMILESC=Cc1ccc(CCCCC)cc1.Fc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H18.C6H2F4/c1-3-5-6-7-13-10-8-12(4-2)9-11-13;7-3-1-4(8)6(10)5(9)2-3/h4,8-11H,2-3,5-7H2,1H3;1-2H
InChIKeyQYXKWIMOKRZDRC-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.36
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309
1-(4-hexylphenyl)-3-(2,3,5-trifluorophenyl)prop-2-ene-1-thione
CID 154256554
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene?
The IUPAC name of 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene (CID 90876868) is 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene.
What is the SMILES notation for 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene?
The canonical SMILES for 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene is C=Cc1ccc(CCCCC)cc1.Fc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene?
The InChIKey is QYXKWIMOKRZDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C6H2F4/c1-3-5-6-7-13-10-8-12(4-2)9-11-13;7-3-1-4(8)6(10)5(9)2-3/h4,8-11H,2-3,5-7H2,1H3;1-2H.
What are the key properties of 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene?
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene has a molecular weight of 324.36 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene is sourced from PubChem (CID 90876868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).