tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate

C11H20FNO2 — CID 57409539

IUPACtert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyJMBBUHQGZLAHBD-IUCAKERBSA-N
MW217.28 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate

tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate (PubChem CID 57409539) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate
PubChem CID57409539
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nametert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyJMBBUHQGZLAHBD-IUCAKERBSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate (CID 57409539) is tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1F.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate?
The InChIKey is JMBBUHQGZLAHBD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate?
tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate has a molecular weight of 217.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-fluorocyclohexyl]carbamate is sourced from PubChem (CID 57409539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).