tert-butyl N-(2-fluoro-2-methylpropyl)carbamate

C9H18FNO2 — CID 72698934

IUPACtert-butyl N-(2-fluoro-2-methylpropyl)carbamate
SMILESCC(C)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-8(2,3)13-7(12)11-6-9(4,5)10/h6H2,1-5H3,(H,11,12)
InChIKeyBIKDNHYZWWVOIY-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl N-(2-fluoro-2-methylpropyl)carbamate

tert-butyl N-(2-fluoro-2-methylpropyl)carbamate (PubChem CID 72698934) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-2-methylpropyl)carbamate
PubChem CID72698934
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nametert-butyl N-(2-fluoro-2-methylpropyl)carbamate
SMILESCC(C)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-8(2,3)13-7(12)11-6-9(4,5)10/h6H2,1-5H3,(H,11,12)
InChIKeyBIKDNHYZWWVOIY-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
Tert-butyl N-ethylcarbamate
CID 11198486
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-(3-iodopropyl)carbamate
CID 11231463
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
tert-Butyl (2-fluoroethyl)carbamate
CID 15356831
tert-butyl N-(4-isocyanobutyl)carbamate
CID 55265307
N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
Tert-butyl isopropylcarbamate
CID 5093479
tert-butyl N-(3-bromo-2-fluoro-2-methylpropyl)carbamate
CID 165456444

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-2-methylpropyl)carbamate (CID 72698934) is tert-butyl N-(2-fluoro-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-2-methylpropyl)carbamate is CC(C)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-2-methylpropyl)carbamate?
The InChIKey is BIKDNHYZWWVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8(2,3)13-7(12)11-6-9(4,5)10/h6H2,1-5H3,(H,11,12).
What are the key properties of tert-butyl N-(2-fluoro-2-methylpropyl)carbamate?
tert-butyl N-(2-fluoro-2-methylpropyl)carbamate has a molecular weight of 191.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-2-methylpropyl)carbamate is sourced from PubChem (CID 72698934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).