ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol

C11H23F2NO — CID 164877253

IUPACethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCC.CCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-2-7-3-8(4-7)12-5-9(10,11)6-13;1-2/h7-8,12-13H,2-6H2,1H3;1-2H3
InChIKeyIDRYUZWUCRLTJH-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.42
Rot. Bonds5

About ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol

ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 164877253) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Nameethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
PubChem CID164877253
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Nameethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCC.CCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-2-7-3-8(4-7)12-5-9(10,11)6-13;1-2/h7-8,12-13H,2-6H2,1H3;1-2H3
InChIKeyIDRYUZWUCRLTJH-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;3-[(3-ethylcyclobutyl)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 ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol (CID 164877253) is ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol is CC.CCC1CC(NCC(F)(F)CO)C1.
What is the InChIKey of ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is IDRYUZWUCRLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-2-7-3-8(4-7)12-5-9(10,11)6-13;1-2/h7-8,12-13H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 223.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 164877253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).