3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol

C13H24F3NO2 — CID 103921053

IUPAC3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)COC1CC(NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO2/c1-8(2)7-19-11-5-9(12(11,3)4)17-6-10(18)13(14,15)16/h8-11,17-18H,5-7H2,1-4H3
InChIKeyLNPSKJCACHLXMQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.34
Rot. Bonds6

About 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol

3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103921053) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103921053
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)COC1CC(NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO2/c1-8(2)7-19-11-5-9(12(11,3)4)17-6-10(18)13(14,15)16/h8-11,17-18H,5-7H2,1-4H3
InChIKeyLNPSKJCACHLXMQ-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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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
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-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
CID 63900038
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804707
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850406
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64851107

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol (CID 103921053) is 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol is CC(C)COC1CC(NCC(O)C(F)(F)F)C1(C)C.
What is the InChIKey of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LNPSKJCACHLXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-8(2)7-19-11-5-9(12(11,3)4)17-6-10(18)13(14,15)16/h8-11,17-18H,5-7H2,1-4H3.
What are the key properties of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103921053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).