tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid

C15H20F3NO3 — CID 66678385

IUPACtert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@](C)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3/c1-13(2,3)19(12(21)22)14(4,9-20)10-6-5-7-11(8-10)15(16,17)18/h5-8,20H,9H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyCOOCIAAHKUGTCK-AWEZNQCLSA-N
MW319.32 g/mol
LogP3.69
Rot. Bonds3

About tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid

tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid (PubChem CID 66678385) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
PubChem CID66678385
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Nametert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@](C)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3/c1-13(2,3)19(12(21)22)14(4,9-20)10-6-5-7-11(8-10)15(16,17)18/h5-8,20H,9H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyCOOCIAAHKUGTCK-AWEZNQCLSA-N
XLogP3.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]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

Related Compounds

(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
4-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 66096075
CID 145487345
CID 145487345
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
tert-butyl-[2-(2-hydroxyethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 66802303

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid (CID 66678385) is tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@](C)(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid?
The InChIKey is COOCIAAHKUGTCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-13(2,3)19(12(21)22)14(4,9-20)10-6-5-7-11(8-10)15(16,17)18/h5-8,20H,9H2,1-4H3,(H,21,22)/t14-/m0/s1.
What are the key properties of tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid has a molecular weight of 319.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid is sourced from PubChem (CID 66678385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).