[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate

C7H10FNO3 — CID 175194220

IUPAC[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCC(=O)[C@@H](F)C1
InChIInChI=1S/C7H10FNO3/c8-5-3-4(12-7(9)11)1-2-6(5)10/h4-5H,1-3H2,(H2,9,11)/t4-,5+/m1/s1
InChIKeyODYOGYOWAMKVIQ-UHNVWZDZSA-N
MW175.16 g/mol
LogP0.54
Rot. Bonds1

About [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate

[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate (PubChem CID 175194220) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate
PubChem CID175194220
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCC(=O)[C@@H](F)C1
InChIInChI=1S/C7H10FNO3/c8-5-3-4(12-7(9)11)1-2-6(5)10/h4-5H,1-3H2,(H2,9,11)/t4-,5+/m1/s1
InChIKeyODYOGYOWAMKVIQ-UHNVWZDZSA-N
XLogP0.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate?
The IUPAC name of [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate (CID 175194220) is [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate.
What is the SMILES notation for [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate?
The canonical SMILES for [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate is NC(=O)O[C@@H]1CCC(=O)[C@@H](F)C1.
What is the InChIKey of [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate?
The InChIKey is ODYOGYOWAMKVIQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-5-3-4(12-7(9)11)1-2-6(5)10/h4-5H,1-3H2,(H2,9,11)/t4-,5+/m1/s1.
What are the key properties of [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate?
[(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate has a molecular weight of 175.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-fluoro-4-oxocyclohexyl] carbamate is sourced from PubChem (CID 175194220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).