3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide

C13H21F2NO2 — CID 114094444

IUPAC3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-16(9-12(18)5-2-3-6-12)11(17)10-4-7-13(14,15)8-10/h10,18H,2-9H2,1H3
InChIKeyUWONXGPZVWVBIL-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.19
Rot. Bonds3

About 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide

3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 114094444) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID114094444
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-16(9-12(18)5-2-3-6-12)11(17)10-4-7-13(14,15)8-10/h10,18H,2-9H2,1H3
InChIKeyUWONXGPZVWVBIL-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 114094444) is 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide is CN(CC1(O)CCCC1)C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is UWONXGPZVWVBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-16(9-12(18)5-2-3-6-12)11(17)10-4-7-13(14,15)8-10/h10,18H,2-9H2,1H3.
What are the key properties of 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide?
3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114094444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).