2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate

C11H12F3NO4 — CID 79346573

IUPAC2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)OCCO
InChIInChI=1S/C11H12F3NO4/c12-11(13,14)19-9-3-1-8(2-4-9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyOYUIESPWIUANNA-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.80
Rot. Bonds5

About 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate

2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate (PubChem CID 79346573) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
PubChem CID79346573
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Name2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)OCCO
InChIInChI=1S/C11H12F3NO4/c12-11(13,14)19-9-3-1-8(2-4-9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyOYUIESPWIUANNA-UHFFFAOYSA-N
XLogP1.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
CID 79345643
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 79349579
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate (CID 79346573) is 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate is O=C(NCc1ccc(OC(F)(F)F)cc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate?
The InChIKey is OYUIESPWIUANNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c12-11(13,14)19-9-3-1-8(2-4-9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17).
What are the key properties of 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate?
2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate has a molecular weight of 279.21 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 79346573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).