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

C10H18F3NO2 — CID 99796108

IUPAC(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
SMILESC[C@]1(CO)CCC[C@@H]1NC[C@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(6-15)4-2-3-7(9)14-5-8(16)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyIRTSYWORZNLDOB-XHNCKOQMSA-N
MW241.25 g/mol
LogP1.05
Rot. Bonds4

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

(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol (PubChem CID 99796108) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
PubChem CID99796108
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
SMILESC[C@]1(CO)CCC[C@@H]1NC[C@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(6-15)4-2-3-7(9)14-5-8(16)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyIRTSYWORZNLDOB-XHNCKOQMSA-N
XLogP1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 102562975
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
CID 136540126
1,1,1-Trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63899444
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 63900050
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
2-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 65835979
3-[(2,2-Dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
CID 79861283
(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
2-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869688

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol (CID 99796108) is (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol is C[C@]1(CO)CCC[C@@H]1NC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The InChIKey is IRTSYWORZNLDOB-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(6-15)4-2-3-7(9)14-5-8(16)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol is sourced from PubChem (CID 99796108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).