[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate

C10H10F3NO3 — CID 154491926

IUPAC[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate
SMILESNC(=O)OC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-4-2-1-3-6(7)8(5-15)17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyCJWYFWOBZAXUDW-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.83
Rot. Bonds3

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

[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate (PubChem CID 154491926) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate
PubChem CID154491926
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate
SMILESNC(=O)OC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-4-2-1-3-6(7)8(5-15)17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyCJWYFWOBZAXUDW-UHFFFAOYSA-N
XLogP1.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 95001885
3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate?
The IUPAC name of [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate (CID 154491926) is [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate.
What is the SMILES notation for [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate?
The canonical SMILES for [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate is NC(=O)OC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate?
The InChIKey is CJWYFWOBZAXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)7-4-2-1-3-6(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-[2-(trifluoromethyl)phenyl]ethyl] carbamate?
[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate has a molecular weight of 249.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate is sourced from PubChem (CID 154491926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).