1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol

C8H11F2NO — CID 175731867

IUPAC1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)C1C=CC=CN1
InChIInChI=1S/C8H11F2NO/c1-8(9,10)7(12)6-4-2-3-5-11-6/h2-7,11-12H,1H3
InChIKeyLIPUOLKGMVGJPH-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.04
Rot. Bonds2

About 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol

1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol (PubChem CID 175731867) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol
PubChem CID175731867
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)C1C=CC=CN1
InChIInChI=1S/C8H11F2NO/c1-8(9,10)7(12)6-4-2-3-5-11-6/h2-7,11-12H,1H3
InChIKeyLIPUOLKGMVGJPH-UHFFFAOYSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol (CID 175731867) is 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol is CC(F)(F)C(O)C1C=CC=CN1.
What is the InChIKey of 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol?
The InChIKey is LIPUOLKGMVGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(9,10)7(12)6-4-2-3-5-11-6/h2-7,11-12H,1H3.
What are the key properties of 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol?
1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol has a molecular weight of 175.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-2-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 175731867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).