tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate

C10H18FNO3 — CID 105473883

IUPACtert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
SMILESCN(CC(C=O)CF)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12(4)6-8(5-11)7-13/h7-8H,5-6H2,1-4H3
InChIKeyDORQCDXTLRPODI-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.64
Rot. Bonds4

About tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate

tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate (PubChem CID 105473883) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
PubChem CID105473883
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
SMILESCN(CC(C=O)CF)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12(4)6-8(5-11)7-13/h7-8H,5-6H2,1-4H3
InChIKeyDORQCDXTLRPODI-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
CID 89082388
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-[(Z)-3-fluoro-4-oxobut-2-enyl]-N-methylcarbamate
CID 146439863
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate (CID 105473883) is tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate is CN(CC(C=O)CF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate?
The InChIKey is DORQCDXTLRPODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12(4)6-8(5-11)7-13/h7-8H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate?
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate has a molecular weight of 219.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate is sourced from PubChem (CID 105473883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).