N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide

C10H17F2NO — CID 126790249

IUPACN-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-9(2,3)6-13-8(14)7-4-10(11,12)5-7/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIDQCYCXMZSDNTN-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.19
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide

N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 126790249) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID126790249
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-9(2,3)6-13-8(14)7-4-10(11,12)5-7/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIDQCYCXMZSDNTN-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide (CID 126790249) is N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide is CC(C)(C)CNC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is IDQCYCXMZSDNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(2,3)6-13-8(14)7-4-10(11,12)5-7/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 205.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 126790249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).