4-(3,3,3-Trifluoropropylamino)butan-2-ol

C7H14F3NO — CID 64912909

IUPAC4-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCC(CCNCCC(F)(F)F)O
InChIInChI=1S/C7H14F3NO/c1-6(12)2-4-11-5-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyCZDLLDMEEVCPPL-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.40
Rot. Bonds5

About 4-(3,3,3-Trifluoropropylamino)butan-2-ol

4-(3,3,3-Trifluoropropylamino)butan-2-ol (PubChem CID 64912909) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)butan-2-ol.

Molecular Properties

Compound Name4-(3,3,3-Trifluoropropylamino)butan-2-ol
PubChem CID64912909
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCC(CCNCCC(F)(F)F)O
InChIInChI=1S/C7H14F3NO/c1-6(12)2-4-11-5-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyCZDLLDMEEVCPPL-UHFFFAOYSA-N
XLogP1.40
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity116

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-ol?
The IUPAC name of 4-(3,3,3-Trifluoropropylamino)butan-2-ol (CID 64912909) is 4-(3,3,3-trifluoropropylamino)butan-2-ol.
What is the SMILES notation for 4-(3,3,3-Trifluoropropylamino)butan-2-ol?
The canonical SMILES for 4-(3,3,3-Trifluoropropylamino)butan-2-ol is CC(CCNCCC(F)(F)F)O.
What is the InChIKey of 4-(3,3,3-Trifluoropropylamino)butan-2-ol?
The InChIKey is CZDLLDMEEVCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(12)2-4-11-5-3-7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 4-(3,3,3-Trifluoropropylamino)butan-2-ol?
4-(3,3,3-Trifluoropropylamino)butan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-Trifluoropropylamino)butan-2-ol is sourced from PubChem (CID 64912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).