[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate

C14H19F2NO4 — CID 175207892

IUPAC[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)17-13(19)21-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyLFEDAOPLHOFMDM-NSHDSACASA-N
MW303.31 g/mol
LogP2.85
Rot. Bonds5

About [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate

[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate (PubChem CID 175207892) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate
PubChem CID175207892
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Name[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)17-13(19)21-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyLFEDAOPLHOFMDM-NSHDSACASA-N
XLogP2.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 175207893
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
[2-(3-butoxyphenyl)-1-phenylethyl] N-tert-butylcarbamate
CID 90837763
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate (CID 175207892) is [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H](CO)c1cccc(OC(F)F)c1.
What is the InChIKey of [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate?
The InChIKey is LFEDAOPLHOFMDM-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-14(2,3)17-13(19)21-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate?
[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate has a molecular weight of 303.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate is sourced from PubChem (CID 175207892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).