N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide

C13H21F2NO — CID 156532370

IUPACN-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)(C)C1CC(NC(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C13H21F2NO/c1-12(2,3)9-4-10(5-9)16-11(17)8-6-13(14,15)7-8/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyOOWBTJQSULKXMT-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.97
Rot. Bonds2

About N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide

N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 156532370) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID156532370
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC NameN-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)(C)C1CC(NC(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C13H21F2NO/c1-12(2,3)9-4-10(5-9)16-11(17)8-6-13(14,15)7-8/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyOOWBTJQSULKXMT-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide (CID 156532370) is N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide is CC(C)(C)C1CC(NC(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is OOWBTJQSULKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-12(2,3)9-4-10(5-9)16-11(17)8-6-13(14,15)7-8/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 156532370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).