2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol

C10H18F3NO2 — CID 112634046

IUPAC2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2)7(5-8(9)15)14-3-4-16-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyJTQMBXFTDOYRJY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.31
Rot. Bonds5

About 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol (PubChem CID 112634046) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol
PubChem CID112634046
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2)7(5-8(9)15)14-3-4-16-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyJTQMBXFTDOYRJY-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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]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
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]pentan-1-ol
CID 61490392
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802825
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804707
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804912

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol (CID 112634046) is 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol is CC1(C)C(O)CC1NCCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol?
The InChIKey is JTQMBXFTDOYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2)7(5-8(9)15)14-3-4-16-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 112634046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).