[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate

C22H19F3N2O3 — CID 14074449

IUPAC[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate
SMILESCC(NC(=O)OC(c1cccc(Oc2ccccc2)n1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H19F3N2O3/c1-15(16-9-4-2-5-10-16)26-21(28)30-20(22(23,24)25)18-13-8-14-19(27-18)29-17-11-6-3-7-12-17/h2-15,20H,1H3,(H,26,28)
InChIKeyTVMUZNLXQFLXCZ-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.96
Rot. Bonds6

About [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate

[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate (PubChem CID 14074449) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate
PubChem CID14074449
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate
SMILESCC(NC(=O)OC(c1cccc(Oc2ccccc2)n1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H19F3N2O3/c1-15(16-9-4-2-5-10-16)26-21(28)30-20(22(23,24)25)18-13-8-14-19(27-18)29-17-11-6-3-7-12-17/h2-15,20H,1H3,(H,26,28)
InChIKeyTVMUZNLXQFLXCZ-UHFFFAOYSA-N
XLogP5.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate
CID 101003138
1-(6-phenoxy-2-pyridinyl)ethyl 2-[[(Z)-3-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 88718056
(1R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-1-[(1S)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl]cyclopropane-1-carboxylic acid
CID 173405862
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
1-(4,6-diphenoxypyrimidin-2-yl)-3-(1-phenylethyl)thiourea
CID 133197438
1-(6-phenoxy-2-pyridinyl)prop-2-ynyl 2-[[(Z)-3-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 88718090
[(S)-cyano-(3-phenoxyphenyl)methyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 54266452
2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine
CID 87974377
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate?
The IUPAC name of [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate (CID 14074449) is [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate.
What is the SMILES notation for [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate?
The canonical SMILES for [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate is CC(NC(=O)OC(c1cccc(Oc2ccccc2)n1)C(F)(F)F)c1ccccc1.
What is the InChIKey of [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate?
The InChIKey is TVMUZNLXQFLXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-15(16-9-4-2-5-10-16)26-21(28)30-20(22(23,24)25)18-13-8-14-19(27-18)29-17-11-6-3-7-12-17/h2-15,20H,1H3,(H,26,28).
What are the key properties of [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate?
[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate has a molecular weight of 416.40 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate is sourced from PubChem (CID 14074449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).