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

C9H17F2NO2 — CID 103921698

IUPAC3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2/c1-2-14-7-3-6(4-7)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyOWAMNECMDZEQSG-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds6

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

3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103921698) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
PubChem CID103921698
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2/c1-2-14-7-3-6(4-7)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyOWAMNECMDZEQSG-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-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
CID 104871868
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
CID 103917750
3-[(3-ethoxycyclobutyl)amino]-2-methylpropan-1-ol
CID 112553088
1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
CID 103921424
N-(2-cyclopropylpropyl)-3-ethoxycyclobutan-1-amine
CID 115903592
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103991359
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol (CID 103921698) is 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol is CCOC1CC(NCC(O)C(F)F)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is OWAMNECMDZEQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-2-14-7-3-6(4-7)12-5-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol?
3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-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]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103921698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).