tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

C14H18F3NO3 — CID 66672121

IUPACtert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-13(2,3)18(12(20)21)11(8-19)9-6-4-5-7-10(9)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,20,21)
InChIKeyOZGQNKPJWUWITM-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 66672121) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID66672121
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nametert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-13(2,3)18(12(20)21)11(8-19)9-6-4-5-7-10(9)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,20,21)
InChIKeyOZGQNKPJWUWITM-UHFFFAOYSA-N
XLogP3.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 66672121) is tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is CC(C)(C)N(C(=O)O)C(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is OZGQNKPJWUWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-13(2,3)18(12(20)21)11(8-19)9-6-4-5-7-10(9)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 305.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 66672121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).