[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol

C17H17F2NO2 — CID 56654416

IUPAC[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1(c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C17H17F2NO2/c18-13-5-4-12(11-14(13)19)17(6-9-22-10-7-17)16(21)15-3-1-2-8-20-15/h1-5,8,11,16,21H,6-7,9-10H2
InChIKeyVGCHVIIZDGMIMX-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.14
Rot. Bonds3

About [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol

[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol (PubChem CID 56654416) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol
PubChem CID56654416
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1(c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C17H17F2NO2/c18-13-5-4-12(11-14(13)19)17(6-9-22-10-7-17)16(21)15-3-1-2-8-20-15/h1-5,8,11,16,21H,6-7,9-10H2
InChIKeyVGCHVIIZDGMIMX-UHFFFAOYSA-N
XLogP3.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol (CID 56654416) is [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol is OC(c1ccccn1)C1(c2ccc(F)c(F)c2)CCOCC1.
What is the InChIKey of [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol?
The InChIKey is VGCHVIIZDGMIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-13-5-4-12(11-14(13)19)17(6-9-22-10-7-17)16(21)15-3-1-2-8-20-15/h1-5,8,11,16,21H,6-7,9-10H2.
What are the key properties of [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol?
[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol has a molecular weight of 305.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 56654416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).