tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate

C14H26FNO3 — CID 69262463

IUPACtert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)C1(F)CCCCC1
InChIInChI=1S/C14H26FNO3/c1-10(16-12(18)19-13(2,3)4)11(17)14(15)8-6-5-7-9-14/h10-11,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyLJUXAPXGVCZNSN-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate (PubChem CID 69262463) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate
PubChem CID69262463
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)C1(F)CCCCC1
InChIInChI=1S/C14H26FNO3/c1-10(16-12(18)19-13(2,3)4)11(17)14(15)8-6-5-7-9-14/h10-11,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyLJUXAPXGVCZNSN-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate (CID 69262463) is tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(O)C1(F)CCCCC1.
What is the InChIKey of tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is LJUXAPXGVCZNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-10(16-12(18)19-13(2,3)4)11(17)14(15)8-6-5-7-9-14/h10-11,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 275.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 69262463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).