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

C14H19F2NO4 — CID 140747337

IUPACtert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-10(8-18)9-6-4-5-7-11(9)20-12(15)16/h4-7,10,12,18H,8H2,1-3H3,(H,17,19)
InChIKeyFNZVXVYBXQGEKG-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.85
Rot. Bonds5

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

tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (PubChem CID 140747337) has the molecular formula C14H19F2NO4 and a molecular weight of 303.30 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
PubChem CID140747337
Molecular FormulaC14H19F2NO4
Molecular Weight303.30 g/mol
Exact Mass303.13
IUPAC Nametert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-10(8-18)9-6-4-5-7-11(9)20-12(15)16/h4-7,10,12,18H,8H2,1-3H3,(H,17,19)
InChIKeyFNZVXVYBXQGEKG-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 ≤ 500303.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390
tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 175207893
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[(1S)-1-(2-chloro-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 125497690
tert-butyl N-[(1R)-2-hydroxy-1-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]carbamate
CID 175686655
tert-butyl N-[(1R)-1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]carbamate
CID 69109171
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
CID 95336152
tert-butyl 5-amino-4-[2-(difluoromethoxy)phenyl]pentanoate
CID 142451403
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[[2-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]-6-fluorophenyl]methyl]carbamate
CID 167936482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (CID 140747337) is tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC(CO)c1ccccc1OC(F)F.
What is the InChIKey of tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The InChIKey is FNZVXVYBXQGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-14(2,3)21-13(19)17-10(8-18)9-6-4-5-7-11(9)20-12(15)16/h4-7,10,12,18H,8H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate has a molecular weight of 303.30 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-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 140747337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).