tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate

C14H19F2NO4 — CID 175207893

IUPACtert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19)
InChIKeyKOWCOAKKXKKPGA-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate

tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (PubChem CID 175207893) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
PubChem CID175207893
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Nametert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19)
InChIKeyKOWCOAKKXKKPGA-UHFFFAOYSA-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-cyanophenyl)-2-hydroxyethyl]carbamate
CID 22134967
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]carbamate
CID 125041772
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
tert-butyl N-[4-[3-(difluoromethoxy)phenyl]-4-oxobutan-2-yl]carbamate
CID 104855076
tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 135263500
[(1R)-1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl] N-tert-butylcarbamate
CID 175207892
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
methyl 3-[3-(2-fluoroethoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 89407762
tert-butyl N-[(1R)-2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 142503477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (CID 175207893) is tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC(CO)c1cccc(OC(F)F)c1.
What is the InChIKey of tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The InChIKey is KOWCOAKKXKKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-11(8-18)9-5-4-6-10(7-9)20-12(15)16/h4-7,11-12,18H,8H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate 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 tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 175207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).