tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate

C12H16FNO3 — CID 65143046

IUPACtert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-8-5-6-10(16-4)9(13)7-8/h5-7H,1-4H3,(H,14,15)
InChIKeyCHFRWBHFHMPCNP-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate

tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate (PubChem CID 65143046) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
PubChem CID65143046
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-8-5-6-10(16-4)9(13)7-8/h5-7H,1-4H3,(H,14,15)
InChIKeyCHFRWBHFHMPCNP-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[2-[(3-fluoro-4-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78865056
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
trifluoro-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 86810523
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522
tert-butyl N-[3-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-fluorophenyl]carbamate
CID 78861114
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
CID 174313293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate (CID 65143046) is tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate?
The InChIKey is CHFRWBHFHMPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-8-5-6-10(16-4)9(13)7-8/h5-7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate?
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate has a molecular weight of 241.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate is sourced from PubChem (CID 65143046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).