(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile

C7H10FNO — CID 98048057

IUPAC(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1(F)CCCC1
InChIInChI=1S/C7H10FNO/c8-7(6(10)5-9)3-1-2-4-7/h6,10H,1-4H2/t6-/m0/s1
InChIKeyKMCKKEJGFVYHJN-LURJTMIESA-N
MW143.16 g/mol
LogP1.15
Rot. Bonds1

About (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile

(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile (PubChem CID 98048057) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile
PubChem CID98048057
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1(F)CCCC1
InChIInChI=1S/C7H10FNO/c8-7(6(10)5-9)3-1-2-4-7/h6,10H,1-4H2/t6-/m0/s1
InChIKeyKMCKKEJGFVYHJN-LURJTMIESA-N
XLogP1.15
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile?
The IUPAC name of (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile (CID 98048057) is (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile.
What is the SMILES notation for (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile?
The canonical SMILES for (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile is N#C[C@H](O)C1(F)CCCC1.
What is the InChIKey of (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile?
The InChIKey is KMCKKEJGFVYHJN-LURJTMIESA-N. The full InChI is InChI=1S/C7H10FNO/c8-7(6(10)5-9)3-1-2-4-7/h6,10H,1-4H2/t6-/m0/s1.
What are the key properties of (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile?
(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile has a molecular weight of 143.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 98048057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).