4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol

C9H10F3NO — CID 134968286

IUPAC4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccncc1
InChIInChI=1S/C9H10F3NO/c1-8(14,6-9(10,11)12)7-2-4-13-5-3-7/h2-5,14H,6H2,1H3
InChIKeyRHBCUBKMHCIHQB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.24
Rot. Bonds2

About 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol

4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol (PubChem CID 134968286) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol
PubChem CID134968286
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccncc1
InChIInChI=1S/C9H10F3NO/c1-8(14,6-9(10,11)12)7-2-4-13-5-3-7/h2-5,14H,6H2,1H3
InChIKeyRHBCUBKMHCIHQB-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-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-2-pyridin-4-ylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol (CID 134968286) is 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol is CC(O)(CC(F)(F)F)c1ccncc1.
What is the InChIKey of 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol?
The InChIKey is RHBCUBKMHCIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(14,6-9(10,11)12)7-2-4-13-5-3-7/h2-5,14H,6H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol?
4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 134968286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).