tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate

C14H19F2NO2 — CID 63788857

IUPACtert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO2/c1-9(11-8-10(15)6-7-12(11)16)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3
InChIKeyAMVRRYLKPMGPNP-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate

tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 63788857) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
PubChem CID63788857
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO2/c1-9(11-8-10(15)6-7-12(11)16)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3
InChIKeyAMVRRYLKPMGPNP-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
methyl 3-(2,5-difluorophenyl)-3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 175494241
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate (CID 63788857) is tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate is CC(c1cc(F)ccc1F)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is AMVRRYLKPMGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(11-8-10(15)6-7-12(11)16)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3.
What are the key properties of tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 271.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 63788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).