3,3,3-Trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamine (HCID 45107971)

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Basic information

Standard SMILES: NC(CO)C(C(F)(F)F)C(F)(F)F
InChIKey: OCQSSEXKSFDUAH-UHFFFAOYSA-N
Molecular formula: C5H7F6NO
Average molar mass: 211.11 g/mol

Names & identifiers

Preferred name: 3,3,3-Trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamine
IUPAC: 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol

Names & synonyms

2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol769169-26-83,3,3-trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamineSCHEMBL2888190OCQSSEXKSFDUAH-UHFFFAOYSA-NWMQAJIAMUCQXTQ-UHFFFAOYSA-N4,4,4,4',4',4'-hexafluoro-dl-valinol4,4,4,4',4',4'-hexafluoro-d1-valinolEN300-19364263,3,3-trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propyl amine

Database identifiers

PubChem CID: 45107971

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Related reactions

25 records

New reaction record

HRID 89014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 141649As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152025As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 184947As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202485As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1127976As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1133899As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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