1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

C16H9F9 — CID 170246537

IUPAC1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)cc(F)c1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H9F9/c1-5(2)7-3-6(17)4-8(18)9(7)10-12(19)14(21)11(16(23,24)25)15(22)13(10)20/h3-5H,1-2H3
InChIKeyRLMYUBMLOZHFRB-UHFFFAOYSA-N
MW372.23 g/mol
LogP6.33
Rot. Bonds2

About 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 170246537) has the molecular formula C16H9F9 and a molecular weight of 372.23 g/mol. Its IUPAC name is 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID170246537
Molecular FormulaC16H9F9
Molecular Weight372.23 g/mol
Exact Mass372.06
IUPAC Name1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)cc(F)c1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H9F9/c1-5(2)7-3-6(17)4-8(18)9(7)10-12(19)14(21)11(16(23,24)25)15(22)13(10)20/h3-5H,1-2H3
InChIKeyRLMYUBMLOZHFRB-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.23
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene
CID 170246262
3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
CID 170421614
1,2,3,4,6-pentafluoro-9,10-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428714
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
CID 178120433
9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428335
9-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87425822
10-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 88877460
1,5-difluoro-2,3-di(propan-2-yl)benzene;bis(1,2-di(propan-2-yl)benzene)
CID 158080182
3,5-difluoro-2-(trifluoromethyl)aniline
CID 2783410
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene
CID 102181048

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 170246537) is 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is CC(C)c1cc(F)cc(F)c1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is RLMYUBMLOZHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F9/c1-5(2)7-3-6(17)4-8(18)9(7)10-12(19)14(21)11(16(23,24)25)15(22)13(10)20/h3-5H,1-2H3.
What are the key properties of 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 372.23 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 170246537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).