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

C10H18F3NO2 — CID 102562975

IUPAC1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
SMILESCC1(CO)CCCC1NCC(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
InChIKeyIRTSYWORZNLDOB-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.05
Rot. Bonds4

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

1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol (PubChem CID 102562975) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
PubChem CID102562975
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
SMILESCC1(CO)CCCC1NCC(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
InChIKeyIRTSYWORZNLDOB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol (CID 102562975) is 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol is CC1(CO)CCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
The InChIKey is IRTSYWORZNLDOB-UHFFFAOYSA-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.
What are the key properties of 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[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 1,1,1-trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol is sourced from PubChem (CID 102562975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).