2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate

C18H19F3N2O4 — CID 166187966

IUPAC2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O4/c1-2-10-25-14-7-3-4-8-15(14)27-16-13(6-5-9-22-16)11-23-17(24)26-12-18(19,20)21/h3-9H,2,10-12H2,1H3,(H,23,24)
InChIKeyJUZKHOARPGUDKL-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.45
Rot. Bonds8

About 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate

2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate (PubChem CID 166187966) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
PubChem CID166187966
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O4/c1-2-10-25-14-7-3-4-8-15(14)27-16-13(6-5-9-22-16)11-23-17(24)26-12-18(19,20)21/h3-9H,2,10-12H2,1H3,(H,23,24)
InChIKeyJUZKHOARPGUDKL-UHFFFAOYSA-N
XLogP4.45
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
CID 65173933
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852322
2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 78891138
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111406229
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate (CID 166187966) is 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate is CCCOc1ccccc1Oc1ncccc1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate?
The InChIKey is JUZKHOARPGUDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-2-10-25-14-7-3-4-8-15(14)27-16-13(6-5-9-22-16)11-23-17(24)26-12-18(19,20)21/h3-9H,2,10-12H2,1H3,(H,23,24).
What are the key properties of 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate has a molecular weight of 384.35 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 166187966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).