tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate

C11H18F2N2O2 — CID 143084571

IUPACtert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=CCNCC1C(F)F
InChIInChI=1S/C11H18F2N2O2/c1-11(2,3)17-10(16)15-8-4-5-14-6-7(8)9(12)13/h4,7,9,14H,5-6H2,1-3H3,(H,15,16)
InChIKeyHVQOSZNHEJJKCP-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate

tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate (PubChem CID 143084571) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate
PubChem CID143084571
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=CCNCC1C(F)F
InChIInChI=1S/C11H18F2N2O2/c1-11(2,3)17-10(16)15-8-4-5-14-6-7(8)9(12)13/h4,7,9,14H,5-6H2,1-3H3,(H,15,16)
InChIKeyHVQOSZNHEJJKCP-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate (CID 143084571) is tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate is CC(C)(C)OC(=O)NC1=CCNCC1C(F)F.
What is the InChIKey of tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate?
The InChIKey is HVQOSZNHEJJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-11(2,3)17-10(16)15-8-4-5-14-6-7(8)9(12)13/h4,7,9,14H,5-6H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate?
tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate has a molecular weight of 248.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(difluoromethyl)-1,2,3,6-tetrahydropyridin-4-yl]carbamate is sourced from PubChem (CID 143084571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).