2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine

C10H18FN — CID 122240285

IUPAC2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine
SMILESNCC(F)CC1CC2(CCC2)C1
InChIInChI=1S/C10H18FN/c11-9(7-12)4-8-5-10(6-8)2-1-3-10/h8-9H,1-7,12H2
InChIKeyGNHOVRBMPBIGGT-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.25
Rot. Bonds3

About 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine

2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine (PubChem CID 122240285) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine
PubChem CID122240285
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine
SMILESNCC(F)CC1CC2(CCC2)C1
InChIInChI=1S/C10H18FN/c11-9(7-12)4-8-5-10(6-8)2-1-3-10/h8-9H,1-7,12H2
InChIKeyGNHOVRBMPBIGGT-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The IUPAC name of 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine (CID 122240285) is 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine is NCC(F)CC1CC2(CCC2)C1.
What is the InChIKey of 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The InChIKey is GNHOVRBMPBIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-9(7-12)4-8-5-10(6-8)2-1-3-10/h8-9H,1-7,12H2.
What are the key properties of 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine?
2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-spiro[3.3]heptan-2-ylpropan-1-amine is sourced from PubChem (CID 122240285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).