4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol

C7H14F3NO — CID 83817419

IUPAC4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)11-6(3-4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyCBPRYKJSLYTOEP-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds4

About 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol

4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol (PubChem CID 83817419) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol
PubChem CID83817419
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)11-6(3-4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyCBPRYKJSLYTOEP-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol (CID 83817419) is 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol is CC(C)NC(CCO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol?
The InChIKey is CBPRYKJSLYTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)11-6(3-4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol?
4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 83817419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).