tert-butyl N-(2-fluoro-1-phenylethyl)carbamate

C13H18FNO2 — CID 102089454

IUPACtert-butyl N-(2-fluoro-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)
InChIKeyURSFJYUZIMUYRH-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-(2-fluoro-1-phenylethyl)carbamate

tert-butyl N-(2-fluoro-1-phenylethyl)carbamate (PubChem CID 102089454) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-1-phenylethyl)carbamate
PubChem CID102089454
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(2-fluoro-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)
InChIKeyURSFJYUZIMUYRH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
N-(1-phenylethyl)formamide
CID 97904
N-(1-phenylethyl)acetamide
CID 222023
methyl N-benzylcarbamate
CID 232620
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
4-Boc-aminomethyl-benzonitrile
CID 10799583
(R)-N-acetyl-1-phenylethylamine
CID 735802
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-1-phenylethyl)carbamate (CID 102089454) is tert-butyl N-(2-fluoro-1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-1-phenylethyl)carbamate is CC(C)(C)OC(=O)NC(CF)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-fluoro-1-phenylethyl)carbamate?
The InChIKey is URSFJYUZIMUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-fluoro-1-phenylethyl)carbamate?
tert-butyl N-(2-fluoro-1-phenylethyl)carbamate has a molecular weight of 239.29 g/mol, XLogP of 3.22, 3 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-1-phenylethyl)carbamate is sourced from PubChem (CID 102089454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).