2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

C11H20FNO — CID 176829570

IUPAC2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCC(C)C1=CCN(CC(F)CO)CC1
InChIInChI=1S/C11H20FNO/c1-9(2)10-3-5-13(6-4-10)7-11(12)8-14/h3,9,11,14H,4-8H2,1-2H3
InChIKeyRFSCUYDJJKCKFL-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.60
Rot. Bonds4

About 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (PubChem CID 176829570) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
PubChem CID176829570
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCC(C)C1=CCN(CC(F)CO)CC1
InChIInChI=1S/C11H20FNO/c1-9(2)10-3-5-13(6-4-10)7-11(12)8-14/h3,9,11,14H,4-8H2,1-2H3
InChIKeyRFSCUYDJJKCKFL-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (CID 176829570) is 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is CC(C)C1=CCN(CC(F)CO)CC1.
What is the InChIKey of 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is RFSCUYDJJKCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(2)10-3-5-13(6-4-10)7-11(12)8-14/h3,9,11,14H,4-8H2,1-2H3.
What are the key properties of 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 201.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 176829570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).