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

C9H17F2NO2 — CID 104860465

IUPAC3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO2/c1-2-14-8-3-7(4-8)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyYRXSDIFFHLNDGO-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds6

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

3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860465) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860465
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO2/c1-2-14-8-3-7(4-8)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyYRXSDIFFHLNDGO-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-4-(oxan-4-ylamino)butan-2-ol
CID 142562206
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
3-[2,2-Difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol
CID 167254248
2-[3-(2,2,2-Trifluoroethoxy)propylamino]butan-1-ol
CID 61491081
1,1,1-Trifluoro-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64605877
4-[3-(2,2,2-Trifluoroethoxy)propylamino]butan-2-ol
CID 64913304
3-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclobutan-1-ol
CID 65970708
3-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]cyclobutan-1-ol
CID 65970731
3-(3,3,3-Trifluoropropylamino)cyclobutan-1-ol
CID 65971438
3-[2-(Trifluoromethoxy)ethylamino]cyclobutan-1-ol
CID 65971867
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclobutan-1-ol
CID 65972082
3-(2,2,2-Trifluoroethylamino)cyclobutan-1-ol
CID 65972311

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol (CID 104860465) is 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol is CCOC1CC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is YRXSDIFFHLNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-2-14-8-3-7(4-8)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).