(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol

C14H14FNO — CID 154716068

IUPAC(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol
SMILESO[C@H](CCc1ncccc1F)c1ccccc1
InChIInChI=1S/C14H14FNO/c15-12-7-4-10-16-13(12)8-9-14(17)11-5-2-1-3-6-11/h1-7,10,14,17H,8-9H2/t14-/m1/s1
InChIKeyCBOBGLIHEXCVAL-CQSZACIVSA-N
MW231.27 g/mol
LogP2.89
Rot. Bonds4

About (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol

(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol (PubChem CID 154716068) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol
PubChem CID154716068
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol
SMILESO[C@H](CCc1ncccc1F)c1ccccc1
InChIInChI=1S/C14H14FNO/c15-12-7-4-10-16-13(12)8-9-14(17)11-5-2-1-3-6-11/h1-7,10,14,17H,8-9H2/t14-/m1/s1
InChIKeyCBOBGLIHEXCVAL-CQSZACIVSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol (CID 154716068) is (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol is O[C@H](CCc1ncccc1F)c1ccccc1.
What is the InChIKey of (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol?
The InChIKey is CBOBGLIHEXCVAL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14FNO/c15-12-7-4-10-16-13(12)8-9-14(17)11-5-2-1-3-6-11/h1-7,10,14,17H,8-9H2/t14-/m1/s1.
What are the key properties of (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol?
(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol has a molecular weight of 231.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 154716068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).