N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide

C12H21F2NO — CID 139362529

IUPACN-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO/c1-11(2,3)15-10(16)8-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIFGIIOZXIAJPRN-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.12
Rot. Bonds2

About N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide

N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide (PubChem CID 139362529) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide
PubChem CID139362529
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO/c1-11(2,3)15-10(16)8-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIFGIIOZXIAJPRN-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide (CID 139362529) is N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide is CC(C)(C)NC(=O)CC1CCC(F)(F)CC1.
What is the InChIKey of N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide?
The InChIKey is IFGIIOZXIAJPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-11(2,3)15-10(16)8-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide?
N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,4-difluorocyclohexyl)acetamide is sourced from PubChem (CID 139362529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).