tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate

C17H24FNO3 — CID 57326528

IUPACtert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate
SMILESCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-5-6-7-14(20)15(12-8-10-13(18)11-9-12)19-16(21)22-17(2,3)4/h8-11,15H,5-7H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyPRRDPIHBWQQQDS-OAHLLOKOSA-N
MW309.38 g/mol
LogP4.15
Rot. Bonds6

About tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate

tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate (PubChem CID 57326528) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate
PubChem CID57326528
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate
SMILESCCCCC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-5-6-7-14(20)15(12-8-10-13(18)11-9-12)19-16(21)22-17(2,3)4/h8-11,15H,5-7H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyPRRDPIHBWQQQDS-OAHLLOKOSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate (CID 57326528) is tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate is CCCCC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate?
The InChIKey is PRRDPIHBWQQQDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-5-6-7-14(20)15(12-8-10-13(18)11-9-12)19-16(21)22-17(2,3)4/h8-11,15H,5-7H2,1-4H3,(H,19,21)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate?
tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate has a molecular weight of 309.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-oxohexyl]carbamate is sourced from PubChem (CID 57326528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).