1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol

C8H15F2NO2 — CID 104871868

IUPAC1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
SMILESCOC1CC(NCC(O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2/c1-13-6-2-5(3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyFCZRVAMNTNBIOZ-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.38
Rot. Bonds5

About 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol

1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol (PubChem CID 104871868) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
PubChem CID104871868
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
SMILESCOC1CC(NCC(O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2/c1-13-6-2-5(3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyFCZRVAMNTNBIOZ-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-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

3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
CID 103921698
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
1-[(3-methoxycyclobutyl)amino]pentan-3-ol
CID 104871930
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103991359
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103788055
N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
CID 104871443
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
CID 104589300
2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
CID 104871942
3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 106821612
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol (CID 104871868) is 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol is COC1CC(NCC(O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol?
The InChIKey is FCZRVAMNTNBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-13-6-2-5(3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol?
1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol has a molecular weight of 195.21 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol is sourced from PubChem (CID 104871868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).