2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol

C7H12F3NO — CID 71743764

IUPAC2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
SMILESNC(CF)C1CC(F)(F)CC1O
InChIInChI=1S/C7H12F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4-6,12H,1-3,11H2
InChIKeyBYEDCNZEFHJBSK-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.69
Rot. Bonds2

About 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol

2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol (PubChem CID 71743764) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
PubChem CID71743764
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
SMILESNC(CF)C1CC(F)(F)CC1O
InChIInChI=1S/C7H12F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4-6,12H,1-3,11H2
InChIKeyBYEDCNZEFHJBSK-UHFFFAOYSA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-amino-2-fluoroethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol?
The IUPAC name of 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol (CID 71743764) is 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol.
What is the SMILES notation for 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol?
The canonical SMILES for 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol is NC(CF)C1CC(F)(F)CC1O.
What is the InChIKey of 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol?
The InChIKey is BYEDCNZEFHJBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-3-5(11)4-1-7(9,10)2-6(4)12/h4-6,12H,1-3,11H2.
What are the key properties of 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol?
2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol is sourced from PubChem (CID 71743764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).