1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol

C11H20F3NO2 — CID 136540126

IUPAC1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
SMILESCC1(CO)CCCC1NCC(C)(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(7-16)5-3-4-8(9)15-6-10(2,17)11(12,13)14/h8,15-17H,3-7H2,1-2H3
InChIKeyBNJOYDBGDNLWFL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds4

About 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol

1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol (PubChem CID 136540126) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
PubChem CID136540126
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
SMILESCC1(CO)CCCC1NCC(C)(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(7-16)5-3-4-8(9)15-6-10(2,17)11(12,13)14/h8,15-17H,3-7H2,1-2H3
InChIKeyBNJOYDBGDNLWFL-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.44
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-Methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclopentyl]methanol
CID 132283043
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 63900667
1-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 65111126
3-[(2,2-Dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
CID 79861283
(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 99796108
(2S)-1,1,1-trifluoro-3-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 99796110
(2R)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 100909621
(2R)-1,1,1-trifluoro-3-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 100909623
1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869656
[1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentyl]methanol
CID 102869911
3-[(2,2-Dimethylcyclopentyl)amino]-1,1-difluoropropan-2-ol
CID 103788074

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol (CID 136540126) is 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol is CC1(CO)CCCC1NCC(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol?
The InChIKey is BNJOYDBGDNLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(7-16)5-3-4-8(9)15-6-10(2,17)11(12,13)14/h8,15-17H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol?
1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 136540126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).