2-ethanimidoyl-4,4-difluorocyclopentan-1-ol

C7H11F2NO — CID 123874890

IUPAC2-ethanimidoyl-4,4-difluorocyclopentan-1-ol
SMILES[H]/N=C(\C)C1CC(F)(F)CC1O
InChIInChI=1S/C7H11F2NO/c1-4(10)5-2-7(8,9)3-6(5)11/h5-6,10-11H,2-3H2,1H3/b10-4+
InChIKeyBPWQQAOAJYIMFM-ONNFQVAWSA-N
MW163.17 g/mol
LogP1.43
Rot. Bonds1

About 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol

2-ethanimidoyl-4,4-difluorocyclopentan-1-ol (PubChem CID 123874890) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol.

Molecular Properties

Compound Name2-ethanimidoyl-4,4-difluorocyclopentan-1-ol
PubChem CID123874890
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-ethanimidoyl-4,4-difluorocyclopentan-1-ol
SMILES[H]/N=C(\C)C1CC(F)(F)CC1O
InChIInChI=1S/C7H11F2NO/c1-4(10)5-2-7(8,9)3-6(5)11/h5-6,10-11H,2-3H2,1H3/b10-4+
InChIKeyBPWQQAOAJYIMFM-ONNFQVAWSA-N
XLogP1.43
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol
CID 123537351
4,4-Difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 123707641
cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 162591745
cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol
CID 162591749
2-(2-Ethylbutanimidoyl)cyclopentan-1-ol
CID 123477245
3-Imino-2-methylcyclopentan-1-ol
CID 123864091
cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol
CID 163509549

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol?
The IUPAC name of 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol (CID 123874890) is 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol.
What is the SMILES notation for 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol?
The canonical SMILES for 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol is [H]/N=C(\C)C1CC(F)(F)CC1O.
What is the InChIKey of 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol?
The InChIKey is BPWQQAOAJYIMFM-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-4(10)5-2-7(8,9)3-6(5)11/h5-6,10-11H,2-3H2,1H3/b10-4+.
What are the key properties of 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol?
2-ethanimidoyl-4,4-difluorocyclopentan-1-ol has a molecular weight of 163.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-4,4-difluorocyclopentan-1-ol is sourced from PubChem (CID 123874890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).