4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol

C10H16FNO — CID 171556348

IUPAC4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol
SMILESCC1=CC(C(O)CCCF)NC=C1
InChIInChI=1S/C10H16FNO/c1-8-4-6-12-9(7-8)10(13)3-2-5-11/h4,6-7,9-10,12-13H,2-3,5H2,1H3
InChIKeyFEPXMAJTUZYJBZ-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.53
Rot. Bonds4

About 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol

4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol (PubChem CID 171556348) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol
PubChem CID171556348
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol
SMILESCC1=CC(C(O)CCCF)NC=C1
InChIInChI=1S/C10H16FNO/c1-8-4-6-12-9(7-8)10(13)3-2-5-11/h4,6-7,9-10,12-13H,2-3,5H2,1H3
InChIKeyFEPXMAJTUZYJBZ-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol?
The IUPAC name of 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol (CID 171556348) is 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol.
What is the SMILES notation for 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol?
The canonical SMILES for 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol is CC1=CC(C(O)CCCF)NC=C1.
What is the InChIKey of 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol?
The InChIKey is FEPXMAJTUZYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8-4-6-12-9(7-8)10(13)3-2-5-11/h4,6-7,9-10,12-13H,2-3,5H2,1H3.
What are the key properties of 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol?
4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol has a molecular weight of 185.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methyl-1,2-dihydropyridin-2-yl)butan-1-ol is sourced from PubChem (CID 171556348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).