2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide

C10H14F5NO2 — CID 114037872

IUPAC2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO2/c1-16(6-8(18)4-2-3-5-8)7(17)9(11,12)10(13,14)15/h18H,2-6H2,1H3
InChIKeyNFPWLGDGUKIAHL-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.95
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide

2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide (PubChem CID 114037872) has the molecular formula C10H14F5NO2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
PubChem CID114037872
Molecular FormulaC10H14F5NO2
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Name2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO2/c1-16(6-8(18)4-2-3-5-8)7(17)9(11,12)10(13,14)15/h18H,2-6H2,1H3
InChIKeyNFPWLGDGUKIAHL-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
CID 114948691
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
CID 114948724
N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 114948607
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-[acetyl(methyl)amino]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759885
N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
CID 107262082
[4-hydroxy-1-methyl-4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
CID 156526331
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499357
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide (CID 114037872) is 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide is CN(CC1(O)CCCC1)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The InChIKey is NFPWLGDGUKIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO2/c1-16(6-8(18)4-2-3-5-8)7(17)9(11,12)10(13,14)15/h18H,2-6H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide has a molecular weight of 275.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 114037872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).