2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol

C10H17BrF3NO — CID 64758568

IUPAC2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
SMILESOCCN(CC(Br)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15(5-6-16)8-3-1-2-4-8/h8-9,16H,1-7H2
InChIKeyHOENPEKGUSHURD-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol

2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol (PubChem CID 64758568) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
PubChem CID64758568
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
SMILESOCCN(CC(Br)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15(5-6-16)8-3-1-2-4-8/h8-9,16H,1-7H2
InChIKeyHOENPEKGUSHURD-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
CID 64758757
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
methyl 2-bromo-3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 81100095
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
CID 126847022
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 82770886
2-chloro-3-[cyclobutyl(2-hydroxyethyl)amino]propanenitrile
CID 102862459

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol?
The IUPAC name of 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol (CID 64758568) is 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol is OCCN(CC(Br)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol?
The InChIKey is HOENPEKGUSHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15(5-6-16)8-3-1-2-4-8/h8-9,16H,1-7H2.
What are the key properties of 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol?
2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol has a molecular weight of 304.15 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol is sourced from PubChem (CID 64758568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).