[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate

C10H10F3NO4 — CID 175211548

IUPAC[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
SMILESNC(=O)OC(CO)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-7-3-1-2-6(4-7)8(5-15)17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyRPVYFEFRIJGCIY-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.71
Rot. Bonds4

About [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate

[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate (PubChem CID 175211548) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
PubChem CID175211548
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
SMILESNC(=O)OC(CO)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-7-3-1-2-6(4-7)8(5-15)17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyRPVYFEFRIJGCIY-UHFFFAOYSA-N
XLogP1.71
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate 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

2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 162602245
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
S-[2,3-dihydroxy-3-[3-(trifluoromethoxy)phenyl]propyl] ethanethioate
CID 170822522
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate?
The IUPAC name of [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate (CID 175211548) is [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate.
What is the SMILES notation for [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate?
The canonical SMILES for [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate is NC(=O)OC(CO)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate?
The InChIKey is RPVYFEFRIJGCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)18-7-3-1-2-6(4-7)8(5-15)17-9(14)16/h1-4,8,15H,5H2,(H2,14,16).
What are the key properties of [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate?
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate has a molecular weight of 265.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate is sourced from PubChem (CID 175211548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).