3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide

C9H16FNO2 — CID 130621288

IUPAC3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CO)NC(=O)C1CCC(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(5-12)11-9(13)7-2-3-8(10)4-7/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyRCPKJRBUSYWGOI-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.62
Rot. Bonds3

About 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide

3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 130621288) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
PubChem CID130621288
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CO)NC(=O)C1CCC(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(5-12)11-9(13)7-2-3-8(10)4-7/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyRCPKJRBUSYWGOI-UHFFFAOYSA-N
XLogP0.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide (CID 130621288) is 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide is CC(CO)NC(=O)C1CCC(F)C1.
What is the InChIKey of 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is RCPKJRBUSYWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6(5-12)11-9(13)7-2-3-8(10)4-7/h6-8,12H,2-5H2,1H3,(H,11,13).
What are the key properties of 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 130621288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).