3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol

C9H17F2NO2 — CID 103952102

IUPAC3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2)6(3-7(9)14)12-4-5(13)8(10)11/h5-8,12-14H,3-4H2,1-2H3
InChIKeyPQACTPRGAILQKV-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.36
Rot. Bonds4

About 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952102) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103952102
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2)6(3-7(9)14)12-4-5(13)8(10)11/h5-8,12-14H,3-4H2,1-2H3
InChIKeyPQACTPRGAILQKV-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 102562975
[1-(Ethylaminomethyl)-3,3-difluorocyclobutyl]methanol
CID 155038067
(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
CID 163393202
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
CID 163393211
[1-[(2,2-Dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol
CID 164717065
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
CID 167099875
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
4-Methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169760200
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 103952102) is 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC(O)C(F)F.
What is the InChIKey of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is PQACTPRGAILQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-9(2)6(3-7(9)14)12-4-5(13)8(10)11/h5-8,12-14H,3-4H2,1-2H3.
What are the key properties of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).