N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide

C11H19F2NO — CID 146435527

IUPACN-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)7-14-9(15)8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVMJHWSVISBRTKG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.58
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide

N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide (PubChem CID 146435527) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide
PubChem CID146435527
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)7-14-9(15)8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVMJHWSVISBRTKG-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.58
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)-2,2-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide (CID 146435527) is N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide is CC(C)(C)CNC(=O)C1CCCC1(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide?
The InChIKey is VMJHWSVISBRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2,3)7-14-9(15)8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide?
N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.58, 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)-2,2-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 146435527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).