2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene

C9H4Cl3F5 — CID 55198798

IUPAC2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
SMILESFC(F)(F)C(F)(F)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H4Cl3F5/c10-4-1-2-5(6(11)3-4)7(12)8(13,14)9(15,16)17/h1-3,7H
InChIKeySYEYGNKHSOBRSD-UHFFFAOYSA-N
MW313.48 g/mol
LogP5.47
Rot. Bonds2

About 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene

2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene (PubChem CID 55198798) has the molecular formula C9H4Cl3F5 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
PubChem CID55198798
Molecular FormulaC9H4Cl3F5
Molecular Weight313.48 g/mol
Exact Mass311.93
IUPAC Name2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
SMILESFC(F)(F)C(F)(F)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H4Cl3F5/c10-4-1-2-5(6(11)3-4)7(12)8(13,14)9(15,16)17/h1-3,7H
InChIKeySYEYGNKHSOBRSD-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248571
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol
CID 70595860
2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
CID 63443935
(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312306
1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol
CID 134861856

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene?
The IUPAC name of 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene (CID 55198798) is 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene is FC(F)(F)C(F)(F)C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene?
The InChIKey is SYEYGNKHSOBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3F5/c10-4-1-2-5(6(11)3-4)7(12)8(13,14)9(15,16)17/h1-3,7H.
What are the key properties of 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene?
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene has a molecular weight of 313.48 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene is sourced from PubChem (CID 55198798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).