1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol

C10H18FNO — CID 131141250

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
SMILESCC1(C)C2CN(CC(O)CF)CC21
InChIInChI=1S/C10H18FNO/c1-10(2)8-5-12(6-9(8)10)4-7(13)3-11/h7-9,13H,3-6H2,1-2H3
InChIKeyRPHRRIDHYWCYNF-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.90
Rot. Bonds3

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol (PubChem CID 131141250) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
PubChem CID131141250
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
SMILESCC1(C)C2CN(CC(O)CF)CC21
InChIInChI=1S/C10H18FNO/c1-10(2)8-5-12(6-9(8)10)4-7(13)3-11/h7-9,13H,3-6H2,1-2H3
InChIKeyRPHRRIDHYWCYNF-UHFFFAOYSA-N
XLogP0.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol (CID 131141250) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol is CC1(C)C2CN(CC(O)CF)CC21.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
The InChIKey is RPHRRIDHYWCYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2)8-5-12(6-9(8)10)4-7(13)3-11/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131141250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).