(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate

C10H8F3NO4 — CID 2331776

IUPAC(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate
SMILESCOc1ccccc1OC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO4/c1-17-6-4-2-3-5-7(6)18-9(16)14-8(15)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyHKHNJKVSMVQMPO-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.87
Rot. Bonds2

About (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate

(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate (PubChem CID 2331776) has the molecular formula C10H8F3NO4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate.

Molecular Properties

Compound Name(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate
PubChem CID2331776
Molecular FormulaC10H8F3NO4
Molecular Weight263.17 g/mol
Exact Mass263.04
IUPAC Name(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate
SMILESCOc1ccccc1OC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO4/c1-17-6-4-2-3-5-7(6)18-9(16)14-8(15)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyHKHNJKVSMVQMPO-UHFFFAOYSA-N
XLogP1.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate?
The IUPAC name of (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate (CID 2331776) is (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate.
What is the SMILES notation for (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate?
The canonical SMILES for (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate is COc1ccccc1OC(=O)NC(=O)C(F)(F)F.
What is the InChIKey of (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate?
The InChIKey is HKHNJKVSMVQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO4/c1-17-6-4-2-3-5-7(6)18-9(16)14-8(15)10(11,12)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate?
(2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate has a molecular weight of 263.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) N-(2,2,2-trifluoroacetyl)carbamate is sourced from PubChem (CID 2331776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).