[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate

C10H5F7O3 — CID 118593360

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
SMILESO=C(OCC(F)(F)F)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H5F7O3/c11-7-2-1-5(3-6(7)10(15,16)17)20-8(18)19-4-9(12,13)14/h1-3H,4H2
InChIKeyOBRJRPMAQDQRKV-UHFFFAOYSA-N
MW306.13 g/mol
LogP3.92
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate

[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate (PubChem CID 118593360) has the molecular formula C10H5F7O3 and a molecular weight of 306.13 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
PubChem CID118593360
Molecular FormulaC10H5F7O3
Molecular Weight306.13 g/mol
Exact Mass306.01
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
SMILESO=C(OCC(F)(F)F)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H5F7O3/c11-7-2-1-5(3-6(7)10(15,16)17)20-8(18)19-4-9(12,13)14/h1-3H,4H2
InChIKeyOBRJRPMAQDQRKV-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314
bis[4-fluoro-3-(trifluoromethyl)phenyl] heptanedioate
CID 118593253
[4-fluoro-3-(trifluoromethyl)phenyl] (E)-6-oxohept-3-enoate
CID 118592802
6-O-[4-chloro-3-(trifluoromethyl)phenyl] 1-O-[4-fluoro-3-(trifluoromethyl)phenyl] hexanedioate
CID 118593255
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
CID 102746826
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-oxobutanoic acid
CID 156827583
[4-fluoro-3-(trifluoromethyl)phenyl] dimethyl phosphate
CID 118589716
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate (CID 118593360) is [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate is O=C(OCC(F)(F)F)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate?
The InChIKey is OBRJRPMAQDQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7O3/c11-7-2-1-5(3-6(7)10(15,16)17)20-8(18)19-4-9(12,13)14/h1-3H,4H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate?
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate has a molecular weight of 306.13 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 118593360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).