2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene

C15H10F6O — CID 21026873

IUPAC2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(OC(F)C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C15H10F6O/c1-8-2-4-10(11(16)6-8)9-3-5-13(12(17)7-9)22-14(18)15(19,20)21/h2-7,14H,1H3
InChIKeyUHQVUGJGDCMCBZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.18
Rot. Bonds3

About 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene

2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene (PubChem CID 21026873) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
PubChem CID21026873
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(OC(F)C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C15H10F6O/c1-8-2-4-10(11(16)6-8)9-3-5-13(12(17)7-9)22-14(18)15(19,20)21/h2-7,14H,1H3
InChIKeyUHQVUGJGDCMCBZ-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
CID 21026855
3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 143115028
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]-4-methylbenzene
CID 143726949
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
CID 23565854
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 23391139

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene (CID 21026873) is 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene is Cc1ccc(-c2ccc(OC(F)C(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene?
The InChIKey is UHQVUGJGDCMCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c1-8-2-4-10(11(16)6-8)9-3-5-13(12(17)7-9)22-14(18)15(19,20)21/h2-7,14H,1H3.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene?
2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene has a molecular weight of 320.23 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene is sourced from PubChem (CID 21026873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).