1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol

C9H16F3NO — CID 115513707

IUPAC1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol
SMILESOC(CNCCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-5-13-6-8(14)7-2-3-7/h7-8,13-14H,1-6H2
InChIKeyYGBRMDYQKIVVRB-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds6

About 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol

1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol (PubChem CID 115513707) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol
PubChem CID115513707
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol
SMILESOC(CNCCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-5-13-6-8(14)7-2-3-7/h7-8,13-14H,1-6H2
InChIKeyYGBRMDYQKIVVRB-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
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-(4,4,4-trifluorobutylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol (CID 115513707) is 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol is OC(CNCCCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol?
The InChIKey is YGBRMDYQKIVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-1-5-13-6-8(14)7-2-3-7/h7-8,13-14H,1-6H2.
What are the key properties of 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol?
1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4,4,4-trifluorobutylamino)ethanol is sourced from PubChem (CID 115513707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).