3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol

C5H10F3NO2 — CID 138511068

IUPAC3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
SMILESOCCNC(CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)4(3-11)9-1-2-10/h4,9-11H,1-3H2
InChIKeyXHHBBNALJFHSNI-UHFFFAOYSA-N
MW173.13 g/mol
LogP-0.51
Rot. Bonds4

About 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol

3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol (PubChem CID 138511068) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
PubChem CID138511068
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
SMILESOCCNC(CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)4(3-11)9-1-2-10/h4,9-11H,1-3H2
InChIKeyXHHBBNALJFHSNI-UHFFFAOYSA-N
XLogP-0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3,3,3-trifluoropropan-1-ol
CID 83815516
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride
CID 172915873
2-(2-hydroxyethylamino)but-3-en-1-ol
CID 19018089
1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
CID 59800336
1-(2-hydroxyethylamino)propane-1,2,3-triol
CID 156780277
(2S)-1,1,1-trifluoro-3-iodo-N-propylpropan-2-amine
CID 159756276
2-(2-hydroxyethylamino)pentane-1,5-diol
CID 87894926
1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
CID 90097181
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
4-(propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol (CID 138511068) is 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol is OCCNC(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol?
The InChIKey is XHHBBNALJFHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c6-5(7,8)4(3-11)9-1-2-10/h4,9-11H,1-3H2.
What are the key properties of 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol?
3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol has a molecular weight of 173.13 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol is sourced from PubChem (CID 138511068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).