1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene

C11H9Cl2F3 — CID 151791954

IUPAC1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene
SMILESC=CC(c1cc(Cl)c(F)c(Cl)c1)C(C)(F)F
InChIInChI=1S/C11H9Cl2F3/c1-3-7(11(2,15)16)6-4-8(12)10(14)9(13)5-6/h3-5,7H,1H2,2H3
InChIKeyRWUOJIOVTBPFLQ-UHFFFAOYSA-N
MW269.09 g/mol
LogP5.06
Rot. Bonds3

About 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene

1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene (PubChem CID 151791954) has the molecular formula C11H9Cl2F3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene
PubChem CID151791954
Molecular FormulaC11H9Cl2F3
Molecular Weight269.09 g/mol
Exact Mass268.00
IUPAC Name1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene
SMILESC=CC(c1cc(Cl)c(F)c(Cl)c1)C(C)(F)F
InChIInChI=1S/C11H9Cl2F3/c1-3-7(11(2,15)16)6-4-8(12)10(14)9(13)5-6/h3-5,7H,1H2,2H3
InChIKeyRWUOJIOVTBPFLQ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.09
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene?
The IUPAC name of 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene (CID 151791954) is 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene.
What is the SMILES notation for 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene?
The canonical SMILES for 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene is C=CC(c1cc(Cl)c(F)c(Cl)c1)C(C)(F)F.
What is the InChIKey of 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene?
The InChIKey is RWUOJIOVTBPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3/c1-3-7(11(2,15)16)6-4-8(12)10(14)9(13)5-6/h3-5,7H,1H2,2H3.
What are the key properties of 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene?
1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene has a molecular weight of 269.09 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(4,4-difluoropent-1-en-3-yl)-2-fluorobenzene is sourced from PubChem (CID 151791954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).