N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide

C9H13F2NO2 — CID 170580938

IUPACN-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C(C)=O)CC1(F)F
InChIInChI=1S/C9H13F2NO2/c1-5(13)7-3-8(12-6(2)14)9(10,11)4-7/h7-8H,3-4H2,1-2H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyNIUNDQTXICUEQG-JGVFFNPUSA-N
MW205.20 g/mol
LogP1.13
Rot. Bonds2

About N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide

N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide (PubChem CID 170580938) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide
PubChem CID170580938
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC NameN-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C(C)=O)CC1(F)F
InChIInChI=1S/C9H13F2NO2/c1-5(13)7-3-8(12-6(2)14)9(10,11)4-7/h7-8H,3-4H2,1-2H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyNIUNDQTXICUEQG-JGVFFNPUSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide?
The IUPAC name of N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide (CID 170580938) is N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide?
The canonical SMILES for N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide is CC(=O)N[C@@H]1C[C@H](C(C)=O)CC1(F)F.
What is the InChIKey of N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide?
The InChIKey is NIUNDQTXICUEQG-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-5(13)7-3-8(12-6(2)14)9(10,11)4-7/h7-8H,3-4H2,1-2H3,(H,12,14)/t7-,8+/m0/s1.
What are the key properties of N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide?
N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide has a molecular weight of 205.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-4-acetyl-2,2-difluorocyclopentyl]acetamide is sourced from PubChem (CID 170580938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).