1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene

C9H6F6 — CID 139245533

IUPAC1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
SMILESFc1ccc(CC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H6F6/c10-7-3-1-6(2-4-7)5-8(11,12)9(13,14)15/h1-4H,5H2
InChIKeyGFEZRQFNIPFQPJ-UHFFFAOYSA-N
MW228.14 g/mol
LogP3.57
Rot. Bonds2

About 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene

1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene (PubChem CID 139245533) has the molecular formula C9H6F6 and a molecular weight of 228.14 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
PubChem CID139245533
Molecular FormulaC9H6F6
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
SMILESFc1ccc(CC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H6F6/c10-7-3-1-6(2-4-7)5-8(11,12)9(13,14)15/h1-4H,5H2
InChIKeyGFEZRQFNIPFQPJ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-3-(4-fluorophenyl)propanenitrile
CID 54200981
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
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2,2,4,4-tetrabromo-1,5-bis(4-fluorophenyl)pentan-3-one
CID 174940474
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
1-fluoro-4-(2,2,2-triethoxyethyl)benzene
CID 10060972
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene
CID 86028337

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene?
The IUPAC name of 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene (CID 139245533) is 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene?
The canonical SMILES for 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene is Fc1ccc(CC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene?
The InChIKey is GFEZRQFNIPFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6/c10-7-3-1-6(2-4-7)5-8(11,12)9(13,14)15/h1-4H,5H2.
What are the key properties of 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene?
1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene has a molecular weight of 228.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene is sourced from PubChem (CID 139245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).