methyl N-(2,2-difluoropropyl)carbamate

C5H9F2NO2 — CID 90076527

IUPACmethyl N-(2,2-difluoropropyl)carbamate
SMILESCOC(=O)NCC(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)3-8-4(9)10-2/h3H2,1-2H3,(H,8,9)
InChIKeyZRRUCWOATRFYAC-UHFFFAOYSA-N
MW153.13 g/mol
LogP1.00
Rot. Bonds2

About methyl N-(2,2-difluoropropyl)carbamate

methyl N-(2,2-difluoropropyl)carbamate (PubChem CID 90076527) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is methyl N-(2,2-difluoropropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2-difluoropropyl)carbamate
PubChem CID90076527
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Namemethyl N-(2,2-difluoropropyl)carbamate
SMILESCOC(=O)NCC(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)3-8-4(9)10-2/h3H2,1-2H3,(H,8,9)
InChIKeyZRRUCWOATRFYAC-UHFFFAOYSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2,2-difluoropropylurea
CID 123994656
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl N-[[2-(2,2-difluoropropoxy)ethoxycarbonylamino]methyl]carbamate
CID 91196206

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-difluoropropyl)carbamate?
The IUPAC name of methyl N-(2,2-difluoropropyl)carbamate (CID 90076527) is methyl N-(2,2-difluoropropyl)carbamate.
What is the SMILES notation for methyl N-(2,2-difluoropropyl)carbamate?
The canonical SMILES for methyl N-(2,2-difluoropropyl)carbamate is COC(=O)NCC(C)(F)F.
What is the InChIKey of methyl N-(2,2-difluoropropyl)carbamate?
The InChIKey is ZRRUCWOATRFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-5(6,7)3-8-4(9)10-2/h3H2,1-2H3,(H,8,9).
What are the key properties of methyl N-(2,2-difluoropropyl)carbamate?
methyl N-(2,2-difluoropropyl)carbamate has a molecular weight of 153.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-difluoropropyl)carbamate is sourced from PubChem (CID 90076527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).