N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide

C8H14FNO2 — CID 14843107

IUPACN-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F
InChIInChI=1S/C8H14FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h6-8,11H,2-4H2,1H3,(H,10,12)/t6-,7-,8-/m1/s1
InChIKeyMKJAITJMAAHXMS-BWZBUEFSSA-N
MW175.20 g/mol
LogP0.23
Rot. Bonds2

About N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide

N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 14843107) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID14843107
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC NameN-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F
InChIInChI=1S/C8H14FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h6-8,11H,2-4H2,1H3,(H,10,12)/t6-,7-,8-/m1/s1
InChIKeyMKJAITJMAAHXMS-BWZBUEFSSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide (CID 14843107) is N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide is CC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F.
What is the InChIKey of N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is MKJAITJMAAHXMS-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h6-8,11H,2-4H2,1H3,(H,10,12)/t6-,7-,8-/m1/s1.
What are the key properties of N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide?
N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 175.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 14843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).