1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene

C11H9F5 — CID 141248995

IUPAC1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene
SMILESCCCC=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,2-3H2,1H3
InChIKeyLICXYXFHPNVJOA-UHFFFAOYSA-N
MW236.18 g/mol
LogP4.20
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene

1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene (PubChem CID 141248995) has the molecular formula C11H9F5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene
PubChem CID141248995
Molecular FormulaC11H9F5
Molecular Weight236.18 g/mol
Exact Mass236.06
IUPAC Name1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene
SMILESCCCC=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,2-3H2,1H3
InChIKeyLICXYXFHPNVJOA-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3,4,5,6-pentafluorophenyl)but-3-ene-1-thiol
CID 170478812
3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-amine
CID 76997048
4-(2,3,4,5,6-pentafluorophenyl)but-3-enal
CID 90924056
9-pent-1-enylanthracene
CID 173045692
N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
CID 169465940
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
4-(4-chlorobut-1-enyl)-2,3,5,6-tetrafluorobenzoic acid
CID 170500045
1-[4-[2,3-difluoro-4-[(E)-pent-1-enyl]phenyl]buta-1,3-diynyl]-2,3-difluoro-4-[(E)-pent-1-enyl]benzene
CID 139688480
1-fluoropent-1-ene
CID 54278285
4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
CID 2961321

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene (CID 141248995) is 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene is CCCC=Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene?
The InChIKey is LICXYXFHPNVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,2-3H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene?
1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene has a molecular weight of 236.18 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-pent-1-enylbenzene is sourced from PubChem (CID 141248995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).