4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol

C7H10F3NO — CID 123537351

IUPAC4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\CF)C1CC(F)(F)CC1O
InChIInChI=1S/C7H10F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4,6,11-12H,1-3H2/b11-5+
InChIKeyGHMABJQOIQFXCB-VZUCSPMQSA-N
MW181.16 g/mol
LogP1.38
Rot. Bonds2

About 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol

4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol (PubChem CID 123537351) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol
PubChem CID123537351
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\CF)C1CC(F)(F)CC1O
InChIInChI=1S/C7H10F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4,6,11-12H,1-3H2/b11-5+
InChIKeyGHMABJQOIQFXCB-VZUCSPMQSA-N
XLogP1.38
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol?
The IUPAC name of 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol (CID 123537351) is 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol.
What is the SMILES notation for 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol?
The canonical SMILES for 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol is [H]/N=C(\CF)C1CC(F)(F)CC1O.
What is the InChIKey of 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol?
The InChIKey is GHMABJQOIQFXCB-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4,6,11-12H,1-3H2/b11-5+.
What are the key properties of 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol?
4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol has a molecular weight of 181.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol is sourced from PubChem (CID 123537351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).