tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate

C17H24FNO2 — CID 12739505

IUPACtert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1(F)c1ccccc1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)21-15(20)19-14-11-7-8-12-17(14,18)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyNIYFSKZPIANADI-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.32
Rot. Bonds2

About tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate

tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate (PubChem CID 12739505) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate
PubChem CID12739505
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nametert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1(F)c1ccccc1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)21-15(20)19-14-11-7-8-12-17(14,18)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyNIYFSKZPIANADI-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate (CID 12739505) is tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCCC1(F)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate?
The InChIKey is NIYFSKZPIANADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(2,3)21-15(20)19-14-11-7-8-12-17(14,18)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate?
tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate has a molecular weight of 293.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate is sourced from PubChem (CID 12739505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).