1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol

C8H14F3NO — CID 64552306

IUPAC1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol
SMILESOC(CNCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-5-7(13)6-1-2-6/h6-7,12-13H,1-5H2
InChIKeyPKKVTVDKTKDZFA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds5

About 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol

1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol (PubChem CID 64552306) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol
PubChem CID64552306
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol
SMILESOC(CNCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-5-7(13)6-1-2-6/h6-7,12-13H,1-5H2
InChIKeyPKKVTVDKTKDZFA-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol (CID 64552306) is 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol is OC(CNCCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol?
The InChIKey is PKKVTVDKTKDZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-5-7(13)6-1-2-6/h6-7,12-13H,1-5H2.
What are the key properties of 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol?
1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol is sourced from PubChem (CID 64552306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).