(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol

C15H16FNO — CID 134966032

IUPAC(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol
SMILESC[C@@](O)(CCc1ccccc1)c1cccnc1F
InChIInChI=1S/C15H16FNO/c1-15(18,13-8-5-11-17-14(13)16)10-9-12-6-3-2-4-7-12/h2-8,11,18H,9-10H2,1H3/t15-/m1/s1
InChIKeyBCKSNDCBXADFKC-OAHLLOKOSA-N
MW245.30 g/mol
LogP3.06
Rot. Bonds4

About (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol

(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol (PubChem CID 134966032) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol
PubChem CID134966032
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol
SMILESC[C@@](O)(CCc1ccccc1)c1cccnc1F
InChIInChI=1S/C15H16FNO/c1-15(18,13-8-5-11-17-14(13)16)10-9-12-6-3-2-4-7-12/h2-8,11,18H,9-10H2,1H3/t15-/m1/s1
InChIKeyBCKSNDCBXADFKC-OAHLLOKOSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol?
The IUPAC name of (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol (CID 134966032) is (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol is C[C@@](O)(CCc1ccccc1)c1cccnc1F.
What is the InChIKey of (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol?
The InChIKey is BCKSNDCBXADFKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16FNO/c1-15(18,13-8-5-11-17-14(13)16)10-9-12-6-3-2-4-7-12/h2-8,11,18H,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol?
(2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol has a molecular weight of 245.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-3-pyridinyl)-4-phenylbutan-2-ol is sourced from PubChem (CID 134966032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).