tert-butyl N-propanoylcarbamate;molecular fluorine

C8H15F2NO3 — CID 90778039

IUPACtert-butyl N-propanoylcarbamate;molecular fluorine
SMILESCCC(=O)NC(=O)OC(C)(C)C.FF
InChIInChI=1S/C8H15NO3.F2/c1-5-6(10)9-7(11)12-8(2,3)4;1-2/h5H2,1-4H3,(H,9,10,11);
InChIKeyARDWZUBRAONFSB-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.29
Rot. Bonds1

About tert-butyl N-propanoylcarbamate;molecular fluorine

tert-butyl N-propanoylcarbamate;molecular fluorine (PubChem CID 90778039) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is tert-butyl N-propanoylcarbamate;molecular fluorine.

Molecular Properties

Compound Nametert-butyl N-propanoylcarbamate;molecular fluorine
PubChem CID90778039
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Nametert-butyl N-propanoylcarbamate;molecular fluorine
SMILESCCC(=O)NC(=O)OC(C)(C)C.FF
InChIInChI=1S/C8H15NO3.F2/c1-5-6(10)9-7(11)12-8(2,3)4;1-2/h5H2,1-4H3,(H,9,10,11);
InChIKeyARDWZUBRAONFSB-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
CID 142024551
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate
CID 87756402
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
CID 58186857
CID 58186857
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
tert-butyl N-[1-(propylideneamino)ethenyl]carbamate
CID 174088644
tert-butyl N-hex-5-enoylcarbamate
CID 101433045
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 15458544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propanoylcarbamate;molecular fluorine?
The IUPAC name of tert-butyl N-propanoylcarbamate;molecular fluorine (CID 90778039) is tert-butyl N-propanoylcarbamate;molecular fluorine.
What is the SMILES notation for tert-butyl N-propanoylcarbamate;molecular fluorine?
The canonical SMILES for tert-butyl N-propanoylcarbamate;molecular fluorine is CCC(=O)NC(=O)OC(C)(C)C.FF.
What is the InChIKey of tert-butyl N-propanoylcarbamate;molecular fluorine?
The InChIKey is ARDWZUBRAONFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.F2/c1-5-6(10)9-7(11)12-8(2,3)4;1-2/h5H2,1-4H3,(H,9,10,11);.
What are the key properties of tert-butyl N-propanoylcarbamate;molecular fluorine?
tert-butyl N-propanoylcarbamate;molecular fluorine has a molecular weight of 211.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propanoylcarbamate;molecular fluorine is sourced from PubChem (CID 90778039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).