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

C10H11F3N2O2 — CID 63373657

IUPAC2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
SMILESCc1cccnc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-7-3-2-4-14-8(7)5-15-9(16)17-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyZBNILXZUTHRBKG-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.18
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate (PubChem CID 63373657) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
PubChem CID63373657
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
SMILESCc1cccnc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-7-3-2-4-14-8(7)5-15-9(16)17-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyZBNILXZUTHRBKG-UHFFFAOYSA-N
XLogP2.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
CID 65173933
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate (CID 63373657) is 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate is Cc1cccnc1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate?
The InChIKey is ZBNILXZUTHRBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-7-3-2-4-14-8(7)5-15-9(16)17-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate has a molecular weight of 248.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 63373657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).