3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

C8H9F3N2O — CID 135397388

IUPAC3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESOCCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-12-4-6(5-13-7)2-1-3-14/h4-5,14H,1-3H2
InChIKeySFPSBJHRSUBDRC-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.42
Rot. Bonds3

About 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (PubChem CID 135397388) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
PubChem CID135397388
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESOCCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-12-4-6(5-13-7)2-1-3-14/h4-5,14H,1-3H2
InChIKeySFPSBJHRSUBDRC-UHFFFAOYSA-N
XLogP1.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (CID 135397388) is 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is OCCCc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The InChIKey is SFPSBJHRSUBDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7-12-4-6(5-13-7)2-1-3-14/h4-5,14H,1-3H2.
What are the key properties of 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol has a molecular weight of 206.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 135397388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).