[(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate

C16H20FNO2 — CID 156602465

IUPAC[(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)O[C@H]1CCC12CCCCC2
InChIInChI=1S/C16H20FNO2/c17-12-4-6-13(7-5-12)18-15(19)20-14-8-11-16(14)9-2-1-3-10-16/h4-7,14H,1-3,8-11H2,(H,18,19)/t14-/m0/s1
InChIKeyNHXDHMSKCOARMH-AWEZNQCLSA-N
MW277.34 g/mol
LogP4.49
Rot. Bonds2

About [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate

[(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate (PubChem CID 156602465) 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-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
PubChem CID156602465
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)O[C@H]1CCC12CCCCC2
InChIInChI=1S/C16H20FNO2/c17-12-4-6-13(7-5-12)18-15(19)20-14-8-11-16(14)9-2-1-3-10-16/h4-7,14H,1-3,8-11H2,(H,18,19)/t14-/m0/s1
InChIKeyNHXDHMSKCOARMH-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

Analyze [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate (CID 156602465) is [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)O[C@H]1CCC12CCCCC2.
What is the InChIKey of [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The InChIKey is NHXDHMSKCOARMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-12-4-6-13(7-5-12)18-15(19)20-14-8-11-16(14)9-2-1-3-10-16/h4-7,14H,1-3,8-11H2,(H,18,19)/t14-/m0/s1.
What are the key properties of [(3S)-spiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
[(3S)-spiro[3.5]nonan-3-yl] N-(4-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-(4-fluorophenyl)carbamate is sourced from PubChem (CID 156602465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).