[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate

C14H14FNO3 — CID 10879914

IUPAC[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccc(O)cc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2F)[C@H]31
InChIInChI=1S/C14H14FNO3/c15-12-9-5-8-10(12)11(8)13(9)19-14(18)16-6-1-3-7(17)4-2-6/h1-4,8-13,17H,5H2,(H,16,18)/t8-,9+,10-,11+,12+,13+/m1/s1
InChIKeyVUSSVWKBRJENNZ-XARVFOJUSA-N
MW263.27 g/mol
LogP2.54
Rot. Bonds2

About [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate

[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate (PubChem CID 10879914) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate
PubChem CID10879914
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate
SMILESO=C(Nc1ccc(O)cc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2F)[C@H]31
InChIInChI=1S/C14H14FNO3/c15-12-9-5-8-10(12)11(8)13(9)19-14(18)16-6-1-3-7(17)4-2-6/h1-4,8-13,17H,5H2,(H,16,18)/t8-,9+,10-,11+,12+,13+/m1/s1
InChIKeyVUSSVWKBRJENNZ-XARVFOJUSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,3R,4S,5R,6R)-5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl] N-phenylcarbamate
CID 23229913
[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-(4-hydroxyphenyl)carbamate
CID 102093381
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
CID 79345354
[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
CID 98073845
(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
CID 101044688
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
CID 70350686

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate?
The IUPAC name of [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate (CID 10879914) is [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate is O=C(Nc1ccc(O)cc1)O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@H]2F)[C@H]31.
What is the InChIKey of [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate?
The InChIKey is VUSSVWKBRJENNZ-XARVFOJUSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-12-9-5-8-10(12)11(8)13(9)19-14(18)16-6-1-3-7(17)4-2-6/h1-4,8-13,17H,5H2,(H,16,18)/t8-,9+,10-,11+,12+,13+/m1/s1.
What are the key properties of [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate?
[(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate has a molecular weight of 263.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R,5R,6R)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 10879914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).