tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate

C15H19F2NO2 — CID 138755635

IUPACtert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(C(F)F)cc2C1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-12-7-9-4-5-10(13(16)17)6-11(9)8-12/h4-6,12-13H,7-8H2,1-3H3,(H,18,19)
InChIKeyULEDFVMHOFRLKP-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate

tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 138755635) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID138755635
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(C(F)F)cc2C1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-12-7-9-4-5-10(13(16)17)6-11(9)8-12/h4-6,12-13H,7-8H2,1-3H3,(H,18,19)
InChIKeyULEDFVMHOFRLKP-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (CID 138755635) is tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(C(F)F)cc2C1.
What is the InChIKey of tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is ULEDFVMHOFRLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-12-7-9-4-5-10(13(16)17)6-11(9)8-12/h4-6,12-13H,7-8H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(difluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 138755635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).