2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide

C9H13F4NO2 — CID 103733802

IUPAC2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(NCC1(O)CCCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(15)14-5-8(16)3-1-2-4-8/h6,16H,1-5H2,(H,14,15)
InChIKeyWLSFPYJCABKTSY-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.31
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103733802) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID103733802
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(NCC1(O)CCCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(15)14-5-8(16)3-1-2-4-8/h6,16H,1-5H2,(H,14,15)
InChIKeyWLSFPYJCABKTSY-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 17964808
N1-((1-hydroxycyclopentyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754576
N-((1-hydroxycyclopentyl)methyl)pivalamide
CID 49670536
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
2,2,2-trifluoro-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64195523
2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65110343
2-[(1-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111460
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 65711380
N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78962880
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310184
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310185

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 103733802) is 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide is O=C(NCC1(O)CCCC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is WLSFPYJCABKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(15)14-5-8(16)3-1-2-4-8/h6,16H,1-5H2,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 243.20 g/mol, XLogP of 1.31, 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-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103733802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).