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

C10H11F3N2O3 — CID 65173933

IUPAC2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
SMILESCOc1ncccc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-17-8-7(3-2-4-14-8)5-15-9(16)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyCJYPZFNXAFPIQJ-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.88
Rot. Bonds4

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

2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate (PubChem CID 65173933) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
PubChem CID65173933
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
SMILESCOc1ncccc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-17-8-7(3-2-4-14-8)5-15-9(16)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyCJYPZFNXAFPIQJ-UHFFFAOYSA-N
XLogP1.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate (CID 65173933) is 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate is COc1ncccc1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate?
The InChIKey is CJYPZFNXAFPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-17-8-7(3-2-4-14-8)5-15-9(16)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate has a molecular weight of 264.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 65173933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).