[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate

C16H20FNO2 — CID 156602528

IUPAC[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)O[C@H]1CCC12CCCCC2
InChIInChI=1S/C16H20FNO2/c17-12-5-4-6-13(11-12)18-15(19)20-14-7-10-16(14)8-2-1-3-9-16/h4-6,11,14H,1-3,7-10H2,(H,18,19)/t14-/m0/s1
InChIKeyYPLLVGUFLJWGGP-AWEZNQCLSA-N
MW277.34 g/mol
LogP4.49
Rot. Bonds2

About [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate

[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate (PubChem CID 156602528) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
PubChem CID156602528
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)O[C@H]1CCC12CCCCC2
InChIInChI=1S/C16H20FNO2/c17-12-5-4-6-13(11-12)18-15(19)20-14-7-10-16(14)8-2-1-3-9-16/h4-6,11,14H,1-3,7-10H2,(H,18,19)/t14-/m0/s1
InChIKeyYPLLVGUFLJWGGP-AWEZNQCLSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate (CID 156602528) is [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)O[C@H]1CCC12CCCCC2.
What is the InChIKey of [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is YPLLVGUFLJWGGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-12-5-4-6-13(11-12)18-15(19)20-14-7-10-16(14)8-2-1-3-9-16/h4-6,11,14H,1-3,7-10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
[(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 277.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-spiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 156602528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).