tert-butyl-(4,4-difluorocyclohexyl)carbamic acid

C11H19F2NO2 — CID 69068112

IUPACtert-butyl-(4,4-difluorocyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(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,15,16)
InChIKeyYFOAWJKIQRBOBN-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl-(4,4-difluorocyclohexyl)carbamic acid

tert-butyl-(4,4-difluorocyclohexyl)carbamic acid (PubChem CID 69068112) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is tert-butyl-(4,4-difluorocyclohexyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4,4-difluorocyclohexyl)carbamic acid
PubChem CID69068112
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nametert-butyl-(4,4-difluorocyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(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,15,16)
InChIKeyYFOAWJKIQRBOBN-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-difluorocyclohexyl)carbamic acid?
The IUPAC name of tert-butyl-(4,4-difluorocyclohexyl)carbamic acid (CID 69068112) is tert-butyl-(4,4-difluorocyclohexyl)carbamic acid.
What is the SMILES notation for tert-butyl-(4,4-difluorocyclohexyl)carbamic acid?
The canonical SMILES for tert-butyl-(4,4-difluorocyclohexyl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl-(4,4-difluorocyclohexyl)carbamic acid?
The InChIKey is YFOAWJKIQRBOBN-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,15,16).
What are the key properties of tert-butyl-(4,4-difluorocyclohexyl)carbamic acid?
tert-butyl-(4,4-difluorocyclohexyl)carbamic acid has a molecular weight of 235.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-difluorocyclohexyl)carbamic acid is sourced from PubChem (CID 69068112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).