(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate

C11H10F3NO4 — CID 88934920

IUPAC(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
SMILESCC(C)(OC(=O)Oc1ccc(N=O)cc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO4/c1-10(2,11(12,13)14)19-9(16)18-8-5-3-7(15-17)4-6-8/h3-6H,1-2H3
InChIKeyOZWMYOXMRBWLSH-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.94
Rot. Bonds3

About (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate

(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate (PubChem CID 88934920) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate.

Molecular Properties

Compound Name(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
PubChem CID88934920
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
SMILESCC(C)(OC(=O)Oc1ccc(N=O)cc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO4/c1-10(2,11(12,13)14)19-9(16)18-8-5-3-7(15-17)4-6-8/h3-6H,1-2H3
InChIKeyOZWMYOXMRBWLSH-UHFFFAOYSA-N
XLogP3.94
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrosophenyl) carbonochloridate
CID 87075345
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
(4-nitrosophenyl) trifluoromethanesulfonate
CID 174465384
2-[4-[4-(4-aminophenoxy)carbonyloxy-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxyethyl (4-nitrosophenyl) carbonate
CID 123951984
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
tert-butyl (4-iodophenyl) carbonate
CID 22345872
(2,5-dihydroxypyrrol-1-yl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 90828189
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
trifluoromethoxy (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 157217399
tert-butyl [4-[difluoro-(4-prop-1-en-2-ylphenyl)methoxy]phenyl] carbonate
CID 168800861
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996

Frequently Asked Questions

What is the IUPAC name of (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate?
The IUPAC name of (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate (CID 88934920) is (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate.
What is the SMILES notation for (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate?
The canonical SMILES for (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate is CC(C)(OC(=O)Oc1ccc(N=O)cc1)C(F)(F)F.
What is the InChIKey of (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate?
The InChIKey is OZWMYOXMRBWLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-10(2,11(12,13)14)19-9(16)18-8-5-3-7(15-17)4-6-8/h3-6H,1-2H3.
What are the key properties of (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate?
(4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate has a molecular weight of 277.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosophenyl) (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate is sourced from PubChem (CID 88934920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).