(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene

C10H6Cl2F2 — CID 165354176

IUPAC(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene
SMILESFC(F)=CC(=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H6Cl2F2/c11-10(12)8(6-9(13)14)7-4-2-1-3-5-7/h1-6H
InChIKeyRTQZNPKWABWNSA-UHFFFAOYSA-N
MW235.06 g/mol
LogP4.61
Rot. Bonds2

About (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene

(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene (PubChem CID 165354176) has the molecular formula C10H6Cl2F2 and a molecular weight of 235.06 g/mol. Its IUPAC name is (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene.

Molecular Properties

Compound Name(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene
PubChem CID165354176
Molecular FormulaC10H6Cl2F2
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene
SMILESFC(F)=CC(=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H6Cl2F2/c11-10(12)8(6-9(13)14)7-4-2-1-3-5-7/h1-6H
InChIKeyRTQZNPKWABWNSA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 54.61
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

(2E)-3,4,5,5-tetrachloro-2-phenylpenta-2,4-dienal
CID 12619839
(Z)-2,3-diphenylbut-2-enedithial
CID 101175637
(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
2-fluoro-2-phenylethenol
CID 141157476
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
CID 175008181
(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
CID 177419498
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
CID 102291546
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
CID 131995426

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene?
The IUPAC name of (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene (CID 165354176) is (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene.
What is the SMILES notation for (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene?
The canonical SMILES for (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene is FC(F)=CC(=C(Cl)Cl)c1ccccc1.
What is the InChIKey of (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene?
The InChIKey is RTQZNPKWABWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2/c11-10(12)8(6-9(13)14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene?
(1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene has a molecular weight of 235.06 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-4,4-difluorobuta-1,3-dien-2-yl)benzene is sourced from PubChem (CID 165354176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).