1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol

C10H16FNO — CID 171555224

IUPAC1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol
SMILESCCC(O)C1NC=C(C)C(C)=C1F
InChIInChI=1S/C10H16FNO/c1-4-8(13)10-9(11)7(3)6(2)5-12-10/h5,8,10,12-13H,4H2,1-3H3
InChIKeyIJRBCVBVFMAKJQ-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol

1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol (PubChem CID 171555224) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol
PubChem CID171555224
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol
SMILESCCC(O)C1NC=C(C)C(C)=C1F
InChIInChI=1S/C10H16FNO/c1-4-8(13)10-9(11)7(3)6(2)5-12-10/h5,8,10,12-13H,4H2,1-3H3
InChIKeyIJRBCVBVFMAKJQ-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol?
The IUPAC name of 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol (CID 171555224) is 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol is CCC(O)C1NC=C(C)C(C)=C1F.
What is the InChIKey of 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol?
The InChIKey is IJRBCVBVFMAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-8(13)10-9(11)7(3)6(2)5-12-10/h5,8,10,12-13H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol?
1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol has a molecular weight of 185.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-1-ol is sourced from PubChem (CID 171555224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).