3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide

C11H19F2NO — CID 90155068

IUPAC3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide
SMILESCCCC(C)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H19F2NO/c1-3-4-8(2)14-10(15)9-5-6-11(12,13)7-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySPPVYLOOOATFOV-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.73
Rot. Bonds4

About 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide

3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide (PubChem CID 90155068) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide
PubChem CID90155068
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide
SMILESCCCC(C)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H19F2NO/c1-3-4-8(2)14-10(15)9-5-6-11(12,13)7-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySPPVYLOOOATFOV-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide (CID 90155068) is 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide is CCCC(C)NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide?
The InChIKey is SPPVYLOOOATFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-4-8(2)14-10(15)9-5-6-11(12,13)7-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide?
3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90155068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).