N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide

C14H23F3N2O — CID 153298515

IUPACN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1C[C@@]2(CNC(=O)CC(F)(F)F)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C14H23F3N2O/c1-9-5-13(6-10(13)19(9)12(2,3)4)8-18-11(20)7-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,20)/t9-,10-,13+/m1/s1
InChIKeySRLSXHSRPGPPBH-BREBYQMCSA-N
MW292.35 g/mol
LogP2.71
Rot. Bonds3

About N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide

N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 153298515) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide
PubChem CID153298515
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1C[C@@]2(CNC(=O)CC(F)(F)F)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C14H23F3N2O/c1-9-5-13(6-10(13)19(9)12(2,3)4)8-18-11(20)7-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,20)/t9-,10-,13+/m1/s1
InChIKeySRLSXHSRPGPPBH-BREBYQMCSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide (CID 153298515) is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide is C[C@@H]1C[C@@]2(CNC(=O)CC(F)(F)F)C[C@H]2N1C(C)(C)C.
What is the InChIKey of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is SRLSXHSRPGPPBH-BREBYQMCSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9-5-13(6-10(13)19(9)12(2,3)4)8-18-11(20)7-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,20)/t9-,10-,13+/m1/s1.
What are the key properties of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide?
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 292.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 153298515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).