2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C9H15F2NO2 — CID 103514014

IUPAC2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO2/c1-12(8(13)7(10)11)6-9(14)4-2-3-5-9/h7,14H,2-6H2,1H3
InChIKeyLLSFPUUUOLHKGW-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.01
Rot. Bonds3

About 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 103514014) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID103514014
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO2/c1-12(8(13)7(10)11)6-9(14)4-2-3-5-9/h7,14H,2-6H2,1H3
InChIKeyLLSFPUUUOLHKGW-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 103514014) is 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is LLSFPUUUOLHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12(8(13)7(10)11)6-9(14)4-2-3-5-9/h7,14H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 207.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 103514014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).