2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate

C10H11F3N2O2 — CID 81410693

IUPAC2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OCC(F)(F)F)c1ccncc1
InChIInChI=1S/C10H11F3N2O2/c1-7(8-2-4-14-5-3-8)15-9(16)17-6-10(11,12)13/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyIXTOVYGLRSQHFZ-SSDOTTSWSA-N
MW248.20 g/mol
LogP2.43
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate

2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate (PubChem CID 81410693) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
PubChem CID81410693
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OCC(F)(F)F)c1ccncc1
InChIInChI=1S/C10H11F3N2O2/c1-7(8-2-4-14-5-3-8)15-9(16)17-6-10(11,12)13/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyIXTOVYGLRSQHFZ-SSDOTTSWSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
CID 94033199
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
CID 65173391
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 95278651
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate (CID 81410693) is 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate is C[C@@H](NC(=O)OCC(F)(F)F)c1ccncc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate?
The InChIKey is IXTOVYGLRSQHFZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-7(8-2-4-14-5-3-8)15-9(16)17-6-10(11,12)13/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate?
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate has a molecular weight of 248.20 g/mol, XLogP of 2.43, 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-[(1R)-1-pyridin-4-ylethyl]carbamate is sourced from PubChem (CID 81410693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).