(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate

C16H19F2NO2 — CID 177145440

IUPAC(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C16H19F2NO2/c17-16(18)11-15(16)8-6-13(7-9-15)21-14(20)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,20)
InChIKeyCDWXXTGHAJQKTD-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.88
Rot. Bonds3

About (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate

(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate (PubChem CID 177145440) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
PubChem CID177145440
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C16H19F2NO2/c17-16(18)11-15(16)8-6-13(7-9-15)21-14(20)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,20)
InChIKeyCDWXXTGHAJQKTD-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
CID 107654733
[1-[(E)-4-bromobut-2-enoyl]piperidin-4-yl] N-benzylcarbamate
CID 175537829
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate
CID 91421121
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate?
The IUPAC name of (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate (CID 177145440) is (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate.
What is the SMILES notation for (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate?
The canonical SMILES for (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate is O=C(NCc1ccccc1)OC1CCC2(CC1)CC2(F)F.
What is the InChIKey of (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate?
The InChIKey is CDWXXTGHAJQKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-16(18)11-15(16)8-6-13(7-9-15)21-14(20)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,20).
What are the key properties of (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate?
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate has a molecular weight of 295.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate is sourced from PubChem (CID 177145440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).