(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol

C13H24F3NO2 — CID 163245457

IUPAC(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-11(2,3)5-10(8-18)17-9-6-12(4,7-9)19-13(14,15)16/h9-10,17-18H,5-8H2,1-4H3/t9?,10-,12?/m1/s1
InChIKeyJCFAKFKFJXNURE-SQLBVSGCSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds5

About (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol

(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol (PubChem CID 163245457) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
PubChem CID163245457
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-11(2,3)5-10(8-18)17-9-6-12(4,7-9)19-13(14,15)16/h9-10,17-18H,5-8H2,1-4H3/t9?,10-,12?/m1/s1
InChIKeyJCFAKFKFJXNURE-SQLBVSGCSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol with MolForge

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Related Compounds

(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
CID 163393211
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-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045657
4,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 62950063
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
4-Methyl-2-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 65803846

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The IUPAC name of (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol (CID 163245457) is (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The canonical SMILES for (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol is CC(C)(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1.
What is the InChIKey of (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The InChIKey is JCFAKFKFJXNURE-SQLBVSGCSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2,3)5-10(8-18)17-9-6-12(4,7-9)19-13(14,15)16/h9-10,17-18H,5-8H2,1-4H3/t9?,10-,12?/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol is sourced from PubChem (CID 163245457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).