tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate

C11H20FNO3 — CID 134253028

IUPACtert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](O)CC[C@@H]1F
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-6-7(14)4-5-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8+,9+/m1/s1
InChIKeyUFRMTRCCTDLODS-VGMNWLOBSA-N
MW233.28 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate

tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate (PubChem CID 134253028) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
PubChem CID134253028
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](O)CC[C@@H]1F
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-6-7(14)4-5-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8+,9+/m1/s1
InChIKeyUFRMTRCCTDLODS-VGMNWLOBSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate (CID 134253028) is tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CC[C@@H]1F.
What is the InChIKey of tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate?
The InChIKey is UFRMTRCCTDLODS-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-6-7(14)4-5-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8+,9+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate?
tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate has a molecular weight of 233.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 134253028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).