3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol

C15H13ClF3NO — CID 25253206

IUPAC3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
SMILESCC(c1ccccc1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c1-10(12-6-2-3-7-13(12)16)14(21,15(17,18)19)11-5-4-8-20-9-11/h2-10,21H,1H3
InChIKeyPSLLSOKFKOLKIL-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.29
Rot. Bonds3

About 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol

3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol (PubChem CID 25253206) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
PubChem CID25253206
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
SMILESCC(c1ccccc1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c1-10(12-6-2-3-7-13(12)16)14(21,15(17,18)19)11-5-4-8-20-9-11/h2-10,21H,1H3
InChIKeyPSLLSOKFKOLKIL-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The IUPAC name of 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol (CID 25253206) is 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol is CC(c1ccccc1Cl)C(O)(c1cccnc1)C(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The InChIKey is PSLLSOKFKOLKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-10(12-6-2-3-7-13(12)16)14(21,15(17,18)19)11-5-4-8-20-9-11/h2-10,21H,1H3.
What are the key properties of 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol has a molecular weight of 315.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 25253206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).