cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol

C7H11F2NO2 — CID 162591749

IUPACcis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\CO)[C@H]1CC(F)(F)C[C@H]1O
InChIInChI=1S/C7H11F2NO2/c8-7(9)1-4(5(10)3-11)6(12)2-7/h4,6,10-12H,1-3H2/b10-5+/t4-,6-/m1/s1
InChIKeyGFUXHKUHPMECRR-GUNZWFBQSA-N
MW179.17 g/mol
LogP0.40
Rot. Bonds2

About cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol

cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol (PubChem CID 162591749) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol
PubChem CID162591749
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namecis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\CO)[C@H]1CC(F)(F)C[C@H]1O
InChIInChI=1S/C7H11F2NO2/c8-7(9)1-4(5(10)3-11)6(12)2-7/h4,6,10-12H,1-3H2/b10-5+/t4-,6-/m1/s1
InChIKeyGFUXHKUHPMECRR-GUNZWFBQSA-N
XLogP0.40
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol (CID 162591749) is cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol is [H]/N=C(\CO)[C@H]1CC(F)(F)C[C@H]1O.
What is the InChIKey of cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol?
The InChIKey is GFUXHKUHPMECRR-GUNZWFBQSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)1-4(5(10)3-11)6(12)2-7/h4,6,10-12H,1-3H2/b10-5+/t4-,6-/m1/s1.
What are the key properties of cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol?
cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol has a molecular weight of 179.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol is sourced from PubChem (CID 162591749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).