(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate

C10H9F4NO2 — CID 935554

IUPAC(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCc1ccc(F)cc1
InChIInChI=1S/C10H9F4NO2/c11-8-3-1-7(2-4-8)5-17-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyYLHJQFZZLDHELK-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.61
Rot. Bonds3

About (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate

(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 935554) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate
PubChem CID935554
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCc1ccc(F)cc1
InChIInChI=1S/C10H9F4NO2/c11-8-3-1-7(2-4-8)5-17-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyYLHJQFZZLDHELK-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate (CID 935554) is (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate is O=C(NCC(F)(F)F)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is YLHJQFZZLDHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c11-8-3-1-7(2-4-8)5-17-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate?
(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 251.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 935554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).