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

C9H17F2NO — CID 104857465

IUPAC2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol
SMILESCC1CCCC1NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO/c1-7-3-2-4-8(7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyUDJASGDEOFMLSL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds4

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

2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol (PubChem CID 104857465) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol
PubChem CID104857465
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol
SMILESCC1CCCC1NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO/c1-7-3-2-4-8(7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyUDJASGDEOFMLSL-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol (CID 104857465) is 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol is CC1CCCC1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol?
The InChIKey is UDJASGDEOFMLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-3-2-4-8(7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol?
2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 104857465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).