tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate

C16H24FNO3 — CID 106507136

IUPACtert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
SMILESCCC(CO)(CNC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO3/c1-5-16(11-19,12-7-6-8-13(17)9-12)10-18-14(20)21-15(2,3)4/h6-9,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyAZQCPOVOPIFHSN-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate

tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate (PubChem CID 106507136) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
PubChem CID106507136
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
SMILESCCC(CO)(CNC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO3/c1-5-16(11-19,12-7-6-8-13(17)9-12)10-18-14(20)21-15(2,3)4/h6-9,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyAZQCPOVOPIFHSN-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507141
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylphenyl)butyl]carbamate
CID 106507423
tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxy-1-iodoethyl]carbamate
CID 68754951
tert-butyl N-[2-(hydroxymethyl)-2-phenylhexyl]carbamate
CID 106508166
tert-butyl N-[2-(4-fluorophenyl)-2-(hydroxymethyl)-4-methylpentyl]carbamate
CID 106506024
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
tert-butyl N-[2-(2-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507148
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
CID 112592515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate (CID 106507136) is tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate is CCC(CO)(CNC(=O)OC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate?
The InChIKey is AZQCPOVOPIFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-16(11-19,12-7-6-8-13(17)9-12)10-18-14(20)21-15(2,3)4/h6-9,19H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate?
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate has a molecular weight of 297.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate is sourced from PubChem (CID 106507136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).