tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid

C15H15ClFNO2 — CID 175720326

IUPACtert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cc(F)c2c(Cl)cccc2c1
InChIInChI=1S/C15H15ClFNO2/c1-15(2,3)18(14(19)20)10-7-9-5-4-6-11(16)13(9)12(17)8-10/h4-8H,1-3H3,(H,19,20)
InChIKeyHYRIVNBGFLXMCS-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.92
Rot. Bonds1

About tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid

tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid (PubChem CID 175720326) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid
PubChem CID175720326
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Nametert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cc(F)c2c(Cl)cccc2c1
InChIInChI=1S/C15H15ClFNO2/c1-15(2,3)18(14(19)20)10-7-9-5-4-6-11(16)13(9)12(17)8-10/h4-8H,1-3H3,(H,19,20)
InChIKeyHYRIVNBGFLXMCS-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid (CID 175720326) is tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid is CC(C)(C)N(C(=O)O)c1cc(F)c2c(Cl)cccc2c1.
What is the InChIKey of tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid?
The InChIKey is HYRIVNBGFLXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-15(2,3)18(14(19)20)10-7-9-5-4-6-11(16)13(9)12(17)8-10/h4-8H,1-3H3,(H,19,20).
What are the key properties of tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid?
tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid has a molecular weight of 295.74 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloro-4-fluoronaphthalen-2-yl)carbamic acid is sourced from PubChem (CID 175720326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).