(4-fluorophenyl)methyl N-tert-butylcarbamate

C12H16FNO2 — CID 21062289

IUPAC(4-fluorophenyl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)16-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyTVKPOPCDXLEWLX-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.85
Rot. Bonds2

About (4-fluorophenyl)methyl N-tert-butylcarbamate

(4-fluorophenyl)methyl N-tert-butylcarbamate (PubChem CID 21062289) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-tert-butylcarbamate
PubChem CID21062289
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(4-fluorophenyl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)16-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyTVKPOPCDXLEWLX-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl carbamate
CID 12136
benzyl N-methylcarbamate
CID 562265
N-((Benzyloxy)carbonyl)-2-methylalanine
CID 294936
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
benzyl N-(2-methylpropyl)carbamate
CID 14568365
Benzyl 1-(benzyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
CID 383591
Benzyl N-[(tert-butylcarbamoyl)methyl]carbamate
CID 44332591
Carbamic acid, (1-(diethoxyphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, phenylmethyl ester
CID 3073002
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
Benzyl N-(2-aminoethyl)carbamate
CID 2794257
benzyl N-(2-cyanopropan-2-yl)carbamate
CID 18442523

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-tert-butylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-tert-butylcarbamate (CID 21062289) is (4-fluorophenyl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-tert-butylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-tert-butylcarbamate?
The InChIKey is TVKPOPCDXLEWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)16-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of (4-fluorophenyl)methyl N-tert-butylcarbamate?
(4-fluorophenyl)methyl N-tert-butylcarbamate has a molecular weight of 225.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 21062289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).