2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide

C7H12FNO3 — CID 85112688

IUPAC2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide
SMILESNC(=O)C1CC(O)C(CO)C1F
InChIInChI=1S/C7H12FNO3/c8-6-3(7(9)12)1-5(11)4(6)2-10/h3-6,10-11H,1-2H2,(H2,9,12)
InChIKeyATNDPKCIARTQTJ-UHFFFAOYSA-N
MW177.17 g/mol
LogP-1.20
Rot. Bonds2

About 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide

2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide (PubChem CID 85112688) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide
PubChem CID85112688
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide
SMILESNC(=O)C1CC(O)C(CO)C1F
InChIInChI=1S/C7H12FNO3/c8-6-3(7(9)12)1-5(11)4(6)2-10/h3-6,10-11H,1-2H2,(H2,9,12)
InChIKeyATNDPKCIARTQTJ-UHFFFAOYSA-N
XLogP-1.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide (CID 85112688) is 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide is NC(=O)C1CC(O)C(CO)C1F.
What is the InChIKey of 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide?
The InChIKey is ATNDPKCIARTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-6-3(7(9)12)1-5(11)4(6)2-10/h3-6,10-11H,1-2H2,(H2,9,12).
What are the key properties of 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide?
2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide has a molecular weight of 177.17 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 85112688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).