2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide

C9H13F4NO2 — CID 103774273

IUPAC2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(NC1CCCC1CO)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-7(11)9(12,13)8(16)14-6-3-1-2-5(6)4-15/h5-7,15H,1-4H2,(H,14,16)
InChIKeyZOEPQAJUQFPQQG-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.16
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 103774273) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID103774273
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(NC1CCCC1CO)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-7(11)9(12,13)8(16)14-6-3-1-2-5(6)4-15/h5-7,15H,1-4H2,(H,14,16)
InChIKeyZOEPQAJUQFPQQG-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 117812904
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65833415
2,2,2-trifluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833844
4,4,4-trifluoro-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 65834820
5-(2-Hydroxyethyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 84072603
2-[[3,3,3-Trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 103309208
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310191
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
CID 103310192
3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
CID 103310220
2,2-difluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 103513942
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 103513974
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103525061

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide (CID 103774273) is 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide is O=C(NC1CCCC1CO)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is ZOEPQAJUQFPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c10-7(11)9(12,13)8(16)14-6-3-1-2-5(6)4-15/h5-7,15H,1-4H2,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 243.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide is sourced from PubChem (CID 103774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).