2,2-difluoroethyl N-tert-butylcarbamate

C7H13F2NO2 — CID 174785314

IUPAC2,2-difluoroethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,3)10-6(11)12-4-5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyXZSNTICVTMDVFY-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.78
Rot. Bonds2

About 2,2-difluoroethyl N-tert-butylcarbamate

2,2-difluoroethyl N-tert-butylcarbamate (PubChem CID 174785314) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoroethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-tert-butylcarbamate
PubChem CID174785314
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoroethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,3)10-6(11)12-4-5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyXZSNTICVTMDVFY-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
CID 142733173
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
CID 175605788
[(2S)-3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl] N-tert-butylcarbamate
CID 174990709
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(2-amino-2-cyanopropyl) N-tert-butylcarbamate
CID 177248875
[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate
CID 135206134
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-tert-butylcarbamate?
The IUPAC name of 2,2-difluoroethyl N-tert-butylcarbamate (CID 174785314) is 2,2-difluoroethyl N-tert-butylcarbamate.
What is the SMILES notation for 2,2-difluoroethyl N-tert-butylcarbamate?
The canonical SMILES for 2,2-difluoroethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-tert-butylcarbamate?
The InChIKey is XZSNTICVTMDVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-7(2,3)10-6(11)12-4-5(8)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2,2-difluoroethyl N-tert-butylcarbamate?
2,2-difluoroethyl N-tert-butylcarbamate has a molecular weight of 181.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-tert-butylcarbamate is sourced from PubChem (CID 174785314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).