1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine

C12H23F2N — CID 146647488

IUPAC1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine
SMILESCC1(C)CC1C(F)(NCCF)C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-10(2,3)12(14,15-7-6-13)9-8-11(9,4)5/h9,15H,6-8H2,1-5H3
InChIKeyPBOJCSGLDRDYPF-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine

1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine (PubChem CID 146647488) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine
PubChem CID146647488
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine
SMILESCC1(C)CC1C(F)(NCCF)C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-10(2,3)12(14,15-7-6-13)9-8-11(9,4)5/h9,15H,6-8H2,1-5H3
InChIKeyPBOJCSGLDRDYPF-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine (CID 146647488) is 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine is CC1(C)CC1C(F)(NCCF)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is PBOJCSGLDRDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-10(2,3)12(14,15-7-6-13)9-8-11(9,4)5/h9,15H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine?
1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 146647488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).