1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol

C8H14FNO — CID 130816059

IUPAC1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC2CC2C1
InChIInChI=1S/C8H14FNO/c9-2-8(11)5-10-3-6-1-7(6)4-10/h6-8,11H,1-5H2
InChIKeyMUJQNJKGOZQOFH-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.27
Rot. Bonds3

About 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol

1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol (PubChem CID 130816059) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
PubChem CID130816059
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC2CC2C1
InChIInChI=1S/C8H14FNO/c9-2-8(11)5-10-3-6-1-7(6)4-10/h6-8,11H,1-5H2
InChIKeyMUJQNJKGOZQOFH-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol (CID 130816059) is 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol is OC(CF)CN1CC2CC2C1.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The InChIKey is MUJQNJKGOZQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-2-8(11)5-10-3-6-1-7(6)4-10/h6-8,11H,1-5H2.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol has a molecular weight of 159.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 130816059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).