(4,4-difluorocyclohexyl) N-tert-butylcarbamate

C11H19F2NO2 — CID 174889069

IUPAC(4,4-difluorocyclohexyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)14-9(15)16-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyXBWRXPSPHPVNPR-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.09
Rot. Bonds1

About (4,4-difluorocyclohexyl) N-tert-butylcarbamate

(4,4-difluorocyclohexyl) N-tert-butylcarbamate (PubChem CID 174889069) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl) N-tert-butylcarbamate
PubChem CID174889069
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name(4,4-difluorocyclohexyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)14-9(15)16-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyXBWRXPSPHPVNPR-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl) N-tert-butylcarbamate?
The IUPAC name of (4,4-difluorocyclohexyl) N-tert-butylcarbamate (CID 174889069) is (4,4-difluorocyclohexyl) N-tert-butylcarbamate.
What is the SMILES notation for (4,4-difluorocyclohexyl) N-tert-butylcarbamate?
The canonical SMILES for (4,4-difluorocyclohexyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl) N-tert-butylcarbamate?
The InChIKey is XBWRXPSPHPVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2,3)14-9(15)16-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of (4,4-difluorocyclohexyl) N-tert-butylcarbamate?
(4,4-difluorocyclohexyl) N-tert-butylcarbamate has a molecular weight of 235.27 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl) N-tert-butylcarbamate is sourced from PubChem (CID 174889069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).