[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C9H15F2NO — CID 155211270

IUPAC[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@H]1[C@@H]2CC[C@@H](C2)N1CC(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)4-12-7-2-1-6(3-7)8(12)5-13/h6-9,13H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyBZVKEWHCUWQRGZ-CSMHCCOUSA-N
MW191.22 g/mol
LogP1.10
Rot. Bonds3

About [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 155211270) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID155211270
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@H]1[C@@H]2CC[C@@H](C2)N1CC(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)4-12-7-2-1-6(3-7)8(12)5-13/h6-9,13H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyBZVKEWHCUWQRGZ-CSMHCCOUSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 155211270) is [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol is OC[C@H]1[C@@H]2CC[C@@H](C2)N1CC(F)F.
What is the InChIKey of [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is BZVKEWHCUWQRGZ-CSMHCCOUSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)4-12-7-2-1-6(3-7)8(12)5-13/h6-9,13H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 155211270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).