tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate

C14H25F2NO3 — CID 69262984

IUPACtert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)OC(C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO3/c1-10(9-18)17(12(19)20-13(2,3)4)11-5-7-14(15,16)8-6-11/h10-11,18H,5-9H2,1-4H3
InChIKeyQDDFHXOGLWIDEO-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate

tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 69262984) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate
PubChem CID69262984
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Nametert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)OC(C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO3/c1-10(9-18)17(12(19)20-13(2,3)4)11-5-7-14(15,16)8-6-11/h10-11,18H,5-9H2,1-4H3
InChIKeyQDDFHXOGLWIDEO-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate (CID 69262984) is tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate is CC(CO)N(C(=O)OC(C)(C)C)C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is QDDFHXOGLWIDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-10(9-18)17(12(19)20-13(2,3)4)11-5-7-14(15,16)8-6-11/h10-11,18H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate?
tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 293.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-difluorocyclohexyl)-N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 69262984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).