phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate

C16H12F3NO4 — CID 12771109

IUPACphenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(Oc1ccccc1)N(CC(F)(F)F)C(=O)Oc1ccccc1
InChIInChI=1S/C16H12F3NO4/c17-16(18,19)11-20(14(21)23-12-7-3-1-4-8-12)15(22)24-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHRDBCYPHLAINLV-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.25
Rot. Bonds3

About phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate

phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 12771109) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namephenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID12771109
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Namephenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(Oc1ccccc1)N(CC(F)(F)F)C(=O)Oc1ccccc1
InChIInChI=1S/C16H12F3NO4/c17-16(18,19)11-20(14(21)23-12-7-3-1-4-8-12)15(22)24-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHRDBCYPHLAINLV-UHFFFAOYSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl N,N-dimethylcarbamate
CID 138885
Phenyl 1-piperidinecarboxylate
CID 283449
1,4-Phenylene bis(diethylcarbamate)
CID 3764428
N,N-DiMe-(4-fluoro-Ph)carbamate
CID 21680067
N,N-DiMe-(3-fluoro-Ph)carbamate
CID 21680071
3-Fluorophenyl N,N-diethylcarbamate
CID 15531138
Phenyl diethylcarbamate
CID 567781
phenyl N-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)carbamate
CID 2729320
N,N-Methylethylphenylcarbamate
CID 126205
4-Fluorophenyl diethylcarbamate
CID 10954832
4-Fluorophenyl diisopropylcarbamate
CID 25258911
3-Fluorophenyl diisopropylcarbamate
CID 25258913

Frequently Asked Questions

What is the IUPAC name of phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate (CID 12771109) is phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate is O=C(Oc1ccccc1)N(CC(F)(F)F)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is HRDBCYPHLAINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c17-16(18,19)11-20(14(21)23-12-7-3-1-4-8-12)15(22)24-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate?
phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 339.27 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenoxycarbonyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 12771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).