[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate

C10H10F3NO4 — CID 123719010

IUPAC[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate
SMILESCC(OC(=O)Oc1ccc(NO)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-6(10(11,12)13)17-9(15)18-8-4-2-7(14-16)3-5-8/h2-6,14,16H,1H3
InChIKeyPOIWXIPCAFPIIP-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.95
Rot. Bonds3

About [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate

[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate (PubChem CID 123719010) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate.

Molecular Properties

Compound Name[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate
PubChem CID123719010
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate
SMILESCC(OC(=O)Oc1ccc(NO)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-6(10(11,12)13)17-9(15)18-8-4-2-7(14-16)3-5-8/h2-6,14,16H,1H3
InChIKeyPOIWXIPCAFPIIP-UHFFFAOYSA-N
XLogP2.95
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-N-hydroxybenzenamine
CID 108115
4,4'-Diaminodiphenyl carbonate
CID 29555
4-(2,2,2-Trifluoroethoxy)aniline
CID 2777119
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate
CID 10756264
Methyl-4-nitrophenylcarbonate
CID 86975
Carbonic acid, 1,1-dimethylethyl 4-nitrophenyl ester
CID 83324
4-(Methoxymethoxy)aniline
CID 12762727
4-(2,2-Difluoroethoxy)benzenamine
CID 459263
Ethyl 4-nitrophenyl carbonate
CID 586863
1-Acetoxyethyl p-nitrophenyl carbonate
CID 11780560
4-Nitrophenyl isopropyl carbonate
CID 23390373
Carbonic acid isobutyl ester 4-nitrophenyl ester
CID 6429250

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate?
The IUPAC name of [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate (CID 123719010) is [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate.
What is the SMILES notation for [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate?
The canonical SMILES for [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate is CC(OC(=O)Oc1ccc(NO)cc1)C(F)(F)F.
What is the InChIKey of [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate?
The InChIKey is POIWXIPCAFPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-6(10(11,12)13)17-9(15)18-8-4-2-7(14-16)3-5-8/h2-6,14,16H,1H3.
What are the key properties of [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate?
[4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate has a molecular weight of 265.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)phenyl] 1,1,1-trifluoropropan-2-yl carbonate is sourced from PubChem (CID 123719010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).