2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid

C17H17F3N2O2 — CID 67423071

IUPAC2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
SMILESCc1ccc([C@@H](N(CCc2ccccc2)C(=O)O)C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N2O2/c1-12-7-8-14(11-21-12)15(17(18,19)20)22(16(23)24)10-9-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyCGNVTTKXWLQTJN-OAHLLOKOSA-N
MW338.33 g/mol
LogP4.22
Rot. Bonds5

About 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid

2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid (PubChem CID 67423071) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid.

Molecular Properties

Compound Name2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
PubChem CID67423071
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
SMILESCc1ccc([C@@H](N(CCc2ccccc2)C(=O)O)C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N2O2/c1-12-7-8-14(11-21-12)15(17(18,19)20)22(16(23)24)10-9-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyCGNVTTKXWLQTJN-OAHLLOKOSA-N
XLogP4.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid?
The IUPAC name of 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid (CID 67423071) is 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid.
What is the SMILES notation for 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid?
The canonical SMILES for 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid is Cc1ccc([C@@H](N(CCc2ccccc2)C(=O)O)C(F)(F)F)cn1.
What is the InChIKey of 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid?
The InChIKey is CGNVTTKXWLQTJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-12-7-8-14(11-21-12)15(17(18,19)20)22(16(23)24)10-9-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid?
2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid has a molecular weight of 338.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid is sourced from PubChem (CID 67423071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).