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

C9H16FNO — CID 177162388

IUPAC2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCC1=CCN(CC(F)CO)CC1
InChIInChI=1S/C9H16FNO/c1-8-2-4-11(5-3-8)6-9(10)7-12/h2,9,12H,3-7H2,1H3
InChIKeyBFUMKYNXBBFMLF-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.97
Rot. Bonds3

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

2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (PubChem CID 177162388) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
PubChem CID177162388
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCC1=CCN(CC(F)CO)CC1
InChIInChI=1S/C9H16FNO/c1-8-2-4-11(5-3-8)6-9(10)7-12/h2,9,12H,3-7H2,1H3
InChIKeyBFUMKYNXBBFMLF-UHFFFAOYSA-N
XLogP0.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.97
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-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (CID 177162388) is 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is CC1=CCN(CC(F)CO)CC1.
What is the InChIKey of 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is BFUMKYNXBBFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8-2-4-11(5-3-8)6-9(10)7-12/h2,9,12H,3-7H2,1H3.
What are the key properties of 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 173.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 177162388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).