(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate

C14H14FNO2 — CID 5238932

IUPAC(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1C2CC3C(C2F)C31
InChIInChI=1S/C14H14FNO2/c15-12-9-6-8-10(12)11(8)13(9)18-14(17)16-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H,16,17)
InChIKeyITHCJYQJGBGYFG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.84
Rot. Bonds2

About (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate

(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate (PubChem CID 5238932) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate.

Molecular Properties

Compound Name(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate
PubChem CID5238932
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1C2CC3C(C2F)C31
InChIInChI=1S/C14H14FNO2/c15-12-9-6-8-10(12)11(8)13(9)18-14(17)16-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H,16,17)
InChIKeyITHCJYQJGBGYFG-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

octahydro-1H-4,7-methanoinden-5-yl phenylcarbamate
CID 2976296
Spiro(2.4)heptan-4-ol, carbanilate
CID 98190
5-bicyclo[2.2.1]hept-2-enylmethyl N-phenylcarbamate
CID 296903
2-bicyclo[2.2.1]hept-5-enylmethyl N-(2-fluorophenyl)carbamate
CID 310533
5-Norbornen-2-ylmethyl N-(4-fluorophenyl)carbamate
CID 310367
2-Methylcyclohexyl 4-fluorophenylcarbamate
CID 4197573
[(1S,2S,3R,4R,5S,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 10900956
[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 10922860
[(1S,3R,4R,5S)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23237259
[(1S,3R,4R,5R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23237260
N-(4-fluorophenyl)(1,7,7-trimethylbicyclo[2.2.1]hept-2-yloxy)carboxamide
CID 43835256
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(4-fluorophenyl)carbamate
CID 51682703

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate?
The IUPAC name of (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate (CID 5238932) is (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate.
What is the SMILES notation for (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate?
The canonical SMILES for (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate is O=C(Nc1ccccc1)OC1C2CC3C(C2F)C31.
What is the InChIKey of (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate?
The InChIKey is ITHCJYQJGBGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-9-6-8-10(12)11(8)13(9)18-14(17)16-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H,16,17).
What are the key properties of (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate?
(5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate has a molecular weight of 247.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl) N-phenylcarbamate is sourced from PubChem (CID 5238932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).