tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate

C15H20F4N2O2 — CID 104954072

IUPACtert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCc1c(F)cccc1F
InChIInChI=1S/C15H20F4N2O2/c1-14(2,3)23-13(22)21-9-15(18,19)8-20-7-10-11(16)5-4-6-12(10)17/h4-6,20H,7-9H2,1-3H3,(H,21,22)
InChIKeyFGRNYEGBHSTHMM-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.21
Rot. Bonds6

About tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate (PubChem CID 104954072) has the molecular formula C15H20F4N2O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
PubChem CID104954072
Molecular FormulaC15H20F4N2O2
Molecular Weight336.33 g/mol
Exact Mass336.15
IUPAC Nametert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCc1c(F)cccc1F
InChIInChI=1S/C15H20F4N2O2/c1-14(2,3)23-13(22)21-9-15(18,19)8-20-7-10-11(16)5-4-6-12(10)17/h4-6,20H,7-9H2,1-3H3,(H,21,22)
InChIKeyFGRNYEGBHSTHMM-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2,2-difluoro-3-[(4-hydroxyphenyl)methylamino]propyl]carbamate
CID 102809780
tert-butyl N-[3-[(3-bromo-4-fluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257334
tert-butyl N-[3-[(1-ethylpyrrol-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257566
tert-butyl N-[3-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 114276626
tert-butyl N-[3-[(5-bromo-2-hydroxyphenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 107738048
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257397
tert-butyl N-[(2-chloro-3-fluorophenyl)methyl]carbamate
CID 137347631
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-[2-[(2-fluorophenyl)methyl]-2-methyl-3-oxopropyl]carbamate
CID 84730984
tert-butyl N-[2-[(2,3-dihydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate (CID 104954072) is tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNCc1c(F)cccc1F.
What is the InChIKey of tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate?
The InChIKey is FGRNYEGBHSTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2/c1-14(2,3)23-13(22)21-9-15(18,19)8-20-7-10-11(16)5-4-6-12(10)17/h4-6,20H,7-9H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate has a molecular weight of 336.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 104954072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).