2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine

C9H18FNO — CID 112567067

IUPAC2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(CN)C1CC1
InChIInChI=1S/C9H18FNO/c1-7(2)12-6-9(10,5-11)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyQHMMODAFSZHLDJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds5

About 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine

2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine (PubChem CID 112567067) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine
PubChem CID112567067
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(CN)C1CC1
InChIInChI=1S/C9H18FNO/c1-7(2)12-6-9(10,5-11)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyQHMMODAFSZHLDJ-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine (CID 112567067) is 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine is CC(C)OCC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine?
The InChIKey is QHMMODAFSZHLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)12-6-9(10,5-11)8-3-4-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine?
2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 112567067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).