3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol

C10H19F2NO — CID 104857355

IUPAC3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H19F2NO/c1-2-8-3-4-9(5-8)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyNLGNPOFHYBDHOI-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds5

About 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol

3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104857355) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol
PubChem CID104857355
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H19F2NO/c1-2-8-3-4-9(5-8)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyNLGNPOFHYBDHOI-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-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 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol (CID 104857355) is 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol is CCC1CCC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is NLGNPOFHYBDHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-8-3-4-9(5-8)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3.
What are the key properties of 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).