4-(3,3,3-trifluoropropylamino)butan-1-ol

C7H14F3NO — CID 63226132

IUPAC4-(3,3,3-trifluoropropylamino)butan-1-ol
SMILESOCCCCNCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)3-5-11-4-1-2-6-12/h11-12H,1-6H2
InChIKeyJYTUCXMDZAUMDM-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds6

About 4-(3,3,3-trifluoropropylamino)butan-1-ol

4-(3,3,3-trifluoropropylamino)butan-1-ol (PubChem CID 63226132) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)butan-1-ol
PubChem CID63226132
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4-(3,3,3-trifluoropropylamino)butan-1-ol
SMILESOCCCCNCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)3-5-11-4-1-2-6-12/h11-12H,1-6H2
InChIKeyJYTUCXMDZAUMDM-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
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 4-(3,3,3-trifluoropropylamino)butan-1-ol?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)butan-1-ol (CID 63226132) is 4-(3,3,3-trifluoropropylamino)butan-1-ol.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)butan-1-ol?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)butan-1-ol is OCCCCNCCC(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)butan-1-ol?
The InChIKey is JYTUCXMDZAUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c8-7(9,10)3-5-11-4-1-2-6-12/h11-12H,1-6H2.
What are the key properties of 4-(3,3,3-trifluoropropylamino)butan-1-ol?
4-(3,3,3-trifluoropropylamino)butan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)butan-1-ol is sourced from PubChem (CID 63226132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).