1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate

C16H24FNO2 — CID 12070578

IUPAC1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
SMILESCC(Cc1ccccc1F)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H24FNO2/c1-11(2)18(12(3)4)16(19)20-13(5)10-14-8-6-7-9-15(14)17/h6-9,11-13H,10H2,1-5H3
InChIKeyUITIIRYTMLKTKM-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.01
Rot. Bonds5

About 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate

1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate (PubChem CID 12070578) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
PubChem CID12070578
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
SMILESCC(Cc1ccccc1F)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H24FNO2/c1-11(2)18(12(3)4)16(19)20-13(5)10-14-8-6-7-9-15(14)17/h6-9,11-13H,10H2,1-5H3
InChIKeyUITIIRYTMLKTKM-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate (CID 12070578) is 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate is CC(Cc1ccccc1F)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate?
The InChIKey is UITIIRYTMLKTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(2)18(12(3)4)16(19)20-13(5)10-14-8-6-7-9-15(14)17/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate?
1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate has a molecular weight of 281.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 12070578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).