(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane

C8H14FN — CID 126641302

IUPAC(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1[C@@H]2C[C@@H]2[C@H](CF)N1C
InChIInChI=1S/C8H14FN/c1-5-6-3-7(6)8(4-9)10(5)2/h5-8H,3-4H2,1-2H3/t5?,6-,7-,8-/m0/s1
InChIKeyRXKDEHWYHBGTKI-DWQAGKKUSA-N
MW143.20 g/mol
LogP1.29
Rot. Bonds1

About (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane

(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 126641302) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID126641302
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1[C@@H]2C[C@@H]2[C@H](CF)N1C
InChIInChI=1S/C8H14FN/c1-5-6-3-7(6)8(4-9)10(5)2/h5-8H,3-4H2,1-2H3/t5?,6-,7-,8-/m0/s1
InChIKeyRXKDEHWYHBGTKI-DWQAGKKUSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane (CID 126641302) is (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane is CC1[C@@H]2C[C@@H]2[C@H](CF)N1C.
What is the InChIKey of (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is RXKDEHWYHBGTKI-DWQAGKKUSA-N. The full InChI is InChI=1S/C8H14FN/c1-5-6-3-7(6)8(4-9)10(5)2/h5-8H,3-4H2,1-2H3/t5?,6-,7-,8-/m0/s1.
What are the key properties of (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane?
(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 143.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126641302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).